[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol

C10H14O3 — CID 91618259

IUPAC[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
SMILESCOc1c(CO)ccc(C)c1CO
InChIInChI=1S/C10H14O3/c1-7-3-4-8(5-11)10(13-2)9(7)6-12/h3-4,11-12H,5-6H2,1-2H3
InChIKeyTVGANYIVLYUPJK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.99
Rot. Bonds3

About [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol

[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol (PubChem CID 91618259) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
PubChem CID91618259
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
SMILESCOc1c(CO)ccc(C)c1CO
InChIInChI=1S/C10H14O3/c1-7-3-4-8(5-11)10(13-2)9(7)6-12/h3-4,11-12H,5-6H2,1-2H3
InChIKeyTVGANYIVLYUPJK-UHFFFAOYSA-N
XLogP0.99
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethoxy-4,6-dimethylphenyl)methanol
CID 84666963
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
(6-methylpyren-1-yl)methanol
CID 91603096
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
CID 130898913
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
CID 117286250
(2-amino-3,4-dimethoxyphenyl)methanol
CID 139735105

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol (CID 91618259) is [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol is COc1c(CO)ccc(C)c1CO.
What is the InChIKey of [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol?
The InChIKey is TVGANYIVLYUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-3-4-8(5-11)10(13-2)9(7)6-12/h3-4,11-12H,5-6H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol?
[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol has a molecular weight of 182.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol is sourced from PubChem (CID 91618259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).