methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate

C16H16O3 — CID 172648616

IUPACmethyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(-c2ccc(CO)cc2)ccc1C
InChIInChI=1S/C16H16O3/c1-11-3-6-14(9-15(11)16(18)19-2)13-7-4-12(10-17)5-8-13/h3-9,17H,10H2,1-2H3
InChIKeyFOSHRSJRWDDNFR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.94
Rot. Bonds3

About methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate

methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate (PubChem CID 172648616) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate
PubChem CID172648616
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(-c2ccc(CO)cc2)ccc1C
InChIInChI=1S/C16H16O3/c1-11-3-6-14(9-15(11)16(18)19-2)13-7-4-12(10-17)5-8-13/h3-9,17H,10H2,1-2H3
InChIKeyFOSHRSJRWDDNFR-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate 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

methyl 2-bromo-5-[4-(hydroxymethyl)phenyl]benzoate
CID 170794940
methyl 5-(bromomethyl)-2-methylbenzoate
CID 86212244
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 2-amino-4-(hydroxymethyl)benzoate
CID 602338
methyl 4-(hydroxymethyl)-2-propan-2-ylbenzoate
CID 171784166
bis(carbon dioxide);dimethyl 4-(3,4-dimethylphenyl)benzene-1,2-dicarboxylate;dimethyl 4-phenylbenzene-1,2-dicarboxylate
CID 169430001
methyl 5-cyclohexa-1,5-dien-1-yl-2-methylbenzoate
CID 144961062
methyl 2-methyl-5-[2-(2-methylpropanoylamino)phenyl]benzoate
CID 141290773
methyl 5-(cyclohexylsulfonylmethyl)-2-methylbenzoate
CID 167851587
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
methyl 5-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]-2-methylbenzoate
CID 23076346

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate (CID 172648616) is methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate is COC(=O)c1cc(-c2ccc(CO)cc2)ccc1C.
What is the InChIKey of methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate?
The InChIKey is FOSHRSJRWDDNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-3-6-14(9-15(11)16(18)19-2)13-7-4-12(10-17)5-8-13/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate?
methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(hydroxymethyl)phenyl]-2-methylbenzoate is sourced from PubChem (CID 172648616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).