6-(3-hydroxypropyl)-2-methoxy-3-methylphenol

C11H16O3 — CID 117286250

IUPAC6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)ccc(CCCO)c1O
InChIInChI=1S/C11H16O3/c1-8-5-6-9(4-3-7-12)10(13)11(8)14-2/h5-6,12-13H,3-4,7H2,1-2H3
InChIKeyQQWYHOUMUZOOQT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.63
Rot. Bonds4

About 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol

6-(3-hydroxypropyl)-2-methoxy-3-methylphenol (PubChem CID 117286250) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
PubChem CID117286250
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)ccc(CCCO)c1O
InChIInChI=1S/C11H16O3/c1-8-5-6-9(4-3-7-12)10(13)11(8)14-2/h5-6,12-13H,3-4,7H2,1-2H3
InChIKeyQQWYHOUMUZOOQT-UHFFFAOYSA-N
XLogP1.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
CID 117279140
2-methoxy-3-methyl-6-[2-(methylamino)ethyl]phenol
CID 84666297
2-methoxy-3-methyl-6-prop-2-enylphenol
CID 130034718
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294953
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117348985
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
3-(5-tert-butyl-2-methoxy-3-methylphenyl)propan-1-ol
CID 21199608
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
2-(3-hydroxypropyl)-6-(methoxymethyl)phenol
CID 117286238
4-(4-chloro-2-hydroxy-3-methoxyphenyl)butanoic acid
CID 117363741

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol?
The IUPAC name of 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol (CID 117286250) is 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol is COc1c(C)ccc(CCCO)c1O.
What is the InChIKey of 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol?
The InChIKey is QQWYHOUMUZOOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-5-6-9(4-3-7-12)10(13)11(8)14-2/h5-6,12-13H,3-4,7H2,1-2H3.
What are the key properties of 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol?
6-(3-hydroxypropyl)-2-methoxy-3-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-2-methoxy-3-methylphenol is sourced from PubChem (CID 117286250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).