2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol

C11H16O4 — CID 162036765

IUPAC2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(CCCO)cc(CO)c1O
InChIInChI=1S/C11H16O4/c1-15-10-6-8(3-2-4-12)5-9(7-13)11(10)14/h5-6,12-14H,2-4,7H2,1H3
InChIKeyKVFRRERGNIXRPJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.82
Rot. Bonds5

About 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol

2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol (PubChem CID 162036765) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
PubChem CID162036765
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(CCCO)cc(CO)c1O
InChIInChI=1S/C11H16O4/c1-15-10-6-8(3-2-4-12)5-9(7-13)11(10)14/h5-6,12-14H,2-4,7H2,1H3
InChIKeyKVFRRERGNIXRPJ-UHFFFAOYSA-N
XLogP0.82
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
CID 70503529
4-(3-bromopropyl)-2,6-dimethoxyphenol
CID 53434534
2,6-dimethoxy-4-pentylphenol
CID 22625510
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
(1S,2R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 162917938
2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 11652150
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
3-hydroxypropyl 3-[4-hydroxy-3-[2-hydroxy-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-3-methoxyphenyl]-5-methoxyphenyl]propanoate
CID 162818155
2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
CID 58863008

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
The IUPAC name of 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol (CID 162036765) is 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol is COc1cc(CCCO)cc(CO)c1O.
What is the InChIKey of 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
The InChIKey is KVFRRERGNIXRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-15-10-6-8(3-2-4-12)5-9(7-13)11(10)14/h5-6,12-14H,2-4,7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol has a molecular weight of 212.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol is sourced from PubChem (CID 162036765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).