2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol

C12H18O3 — CID 117300572

IUPAC2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
SMILESCOc1cc(C)c(C)c(CCCO)c1O
InChIInChI=1S/C12H18O3/c1-8-7-11(15-3)12(14)10(9(8)2)5-4-6-13/h7,13-14H,4-6H2,1-3H3
InChIKeyUWDKOGNMNXGXSY-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol

2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol (PubChem CID 117300572) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
PubChem CID117300572
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
SMILESCOc1cc(C)c(C)c(CCCO)c1O
InChIInChI=1S/C12H18O3/c1-8-7-11(15-3)12(14)10(9(8)2)5-4-6-13/h7,13-14H,4-6H2,1-3H3
InChIKeyUWDKOGNMNXGXSY-UHFFFAOYSA-N
XLogP1.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
3-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propanal
CID 117434961
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
4-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)butanoic acid
CID 117488061
4-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)butanoic acid
CID 117400546
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol?
The IUPAC name of 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol (CID 117300572) is 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol?
The canonical SMILES for 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol is COc1cc(C)c(C)c(CCCO)c1O.
What is the InChIKey of 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol?
The InChIKey is UWDKOGNMNXGXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-7-11(15-3)12(14)10(9(8)2)5-4-6-13/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol?
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol has a molecular weight of 210.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 117300572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).