2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol

C12H18O4 — CID 58235144

IUPAC2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol
SMILESCOCCOc1ccc(CCO)cc1CO
InChIInChI=1S/C12H18O4/c1-15-6-7-16-12-3-2-10(4-5-13)8-11(12)9-14/h2-3,8,13-14H,4-7,9H2,1H3
InChIKeySPQQKRFIGQYVJO-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.74
Rot. Bonds7

About 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol

2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol (PubChem CID 58235144) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol
PubChem CID58235144
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol
SMILESCOCCOc1ccc(CCO)cc1CO
InChIInChI=1S/C12H18O4/c1-15-6-7-16-12-3-2-10(4-5-13)8-11(12)9-14/h2-3,8,13-14H,4-7,9H2,1H3
InChIKeySPQQKRFIGQYVJO-UHFFFAOYSA-N
XLogP0.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol 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

[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609
2-[4-[4-[2-(2-methoxyethoxy)-4-methylphenyl]phenyl]-3-methylphenyl]ethanol
CID 145122060
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol
CID 11847811
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]methanol
CID 65446582
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
[5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol
CID 160591805
2-[3-(hydroxymethyl)-4-(11-hydroxyundecoxy)phenyl]acetonitrile
CID 90277010
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol?
The IUPAC name of 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol (CID 58235144) is 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol is COCCOc1ccc(CCO)cc1CO.
What is the InChIKey of 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol?
The InChIKey is SPQQKRFIGQYVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-15-6-7-16-12-3-2-10(4-5-13)8-11(12)9-14/h2-3,8,13-14H,4-7,9H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol?
2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol has a molecular weight of 226.27 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-4-(2-methoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 58235144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).