[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone

C16H16O3S — CID 168803174

IUPAC[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(SC)cc2)ccc1CO
InChIInChI=1S/C16H16O3S/c1-19-15-9-12(3-4-13(15)10-17)16(18)11-5-7-14(20-2)8-6-11/h3-9,17H,10H2,1-2H3
InChIKeyADNXNFFBDCUHAJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.14
Rot. Bonds5

About [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone

[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone (PubChem CID 168803174) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone
PubChem CID168803174
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(SC)cc2)ccc1CO
InChIInChI=1S/C16H16O3S/c1-19-15-9-12(3-4-13(15)10-17)16(18)11-5-7-14(20-2)8-6-11/h3-9,17H,10H2,1-2H3
InChIKeyADNXNFFBDCUHAJ-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone 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)-3-methoxyphenyl]-(4-methylphenyl)methanone
CID 168803173
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
2-bromo-1-[4-(hydroxymethyl)-3-methoxyphenyl]ethanone
CID 87613881
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
(3,5-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 2758307
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
methyl 3-methoxy-4-(4-methylsulfanylbenzoyl)oxybenzoate
CID 18189723
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone (CID 168803174) is [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone is COc1cc(C(=O)c2ccc(SC)cc2)ccc1CO.
What is the InChIKey of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is ADNXNFFBDCUHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-19-15-9-12(3-4-13(15)10-17)16(18)11-5-7-14(20-2)8-6-11/h3-9,17H,10H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone?
[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 288.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 168803174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).