2-(4-methyl-3-phenylmethoxyphenyl)ethanol

C16H18O2 — CID 117358003

IUPAC2-(4-methyl-3-phenylmethoxyphenyl)ethanol
SMILESCc1ccc(CCO)cc1OCc1ccccc1
InChIInChI=1S/C16H18O2/c1-13-7-8-14(9-10-17)11-16(13)18-12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12H2,1H3
InChIKeyNHIQSHCKINOEJV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-methyl-3-phenylmethoxyphenyl)ethanol

2-(4-methyl-3-phenylmethoxyphenyl)ethanol (PubChem CID 117358003) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-methyl-3-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-3-phenylmethoxyphenyl)ethanol
PubChem CID117358003
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(4-methyl-3-phenylmethoxyphenyl)ethanol
SMILESCc1ccc(CCO)cc1OCc1ccccc1
InChIInChI=1S/C16H18O2/c1-13-7-8-14(9-10-17)11-16(13)18-12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12H2,1H3
InChIKeyNHIQSHCKINOEJV-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methyl-3-phenylmethoxyphenyl)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-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
CID 159469456
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
CID 144719358
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
dimethoxy-(4-methyl-3-phenylmethoxyphenyl)borane
CID 174065392
2-[7-[3,4-bis(phenylmethoxy)phenyl]heptylamino]ethanol
CID 71609182
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834
2-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanol
CID 18357281
5-[5-(2-hydroxyethyl)-2-phenylmethoxyphenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 90414010
1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-phenylmethoxyphenyl)ethanol?
The IUPAC name of 2-(4-methyl-3-phenylmethoxyphenyl)ethanol (CID 117358003) is 2-(4-methyl-3-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-methyl-3-phenylmethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-methyl-3-phenylmethoxyphenyl)ethanol is Cc1ccc(CCO)cc1OCc1ccccc1.
What is the InChIKey of 2-(4-methyl-3-phenylmethoxyphenyl)ethanol?
The InChIKey is NHIQSHCKINOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-13-7-8-14(9-10-17)11-16(13)18-12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 2-(4-methyl-3-phenylmethoxyphenyl)ethanol?
2-(4-methyl-3-phenylmethoxyphenyl)ethanol has a molecular weight of 242.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 117358003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).