Thymoquinol dimethyl ether

Thymoquinol dimethyl ether
Compound Structure:
Synonyms: 2,5-Dimethoxy-p-cymene 14753-08-3 p-2,5-Dimethoxycymene; Thymohydroquinone ;dimethyl ether 1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene
Compound ID: NMPC-1537
PubChem ID:

6427071
Molecular Formula: C12H18O2
Canonical SMILES: CC1=CC(=C(C=C1OC)C(C)C)OC
InChIKey: VTRMVHBUTNPBTP-UHFFFAOYSA-N
About the compound:
Properties:


Property Name

Property Value

Molecular Weight

194.27 g/mol

XLogP3-AA

3.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

194.130679813 g/mol

Monoisotopic Mass

194.130679813 g/mol

Topological Polar Surface Area

18.5Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

168

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Laggera alata
Monodora tenuifolia
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