1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone

C16H16O2 — CID 144853232

IUPAC1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(C)c(CO)c2)c1
InChIInChI=1S/C16H16O2/c1-11-6-7-15(9-16(11)10-17)14-5-3-4-13(8-14)12(2)18/h3-9,17H,10H2,1-2H3
InChIKeyGRTHISABRMRDAO-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.36
Rot. Bonds3

About 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone

1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone (PubChem CID 144853232) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
PubChem CID144853232
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(C)c(CO)c2)c1
InChIInChI=1S/C16H16O2/c1-11-6-7-15(9-16(11)10-17)14-5-3-4-13(8-14)12(2)18/h3-9,17H,10H2,1-2H3
InChIKeyGRTHISABRMRDAO-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
CID 81432897
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
CID 68810177
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
4-(3-acetylphenyl)benzenediazonium
CID 175218117
1-[3-(3-hydroxy-5-methylphenyl)phenyl]ethanone
CID 53218902
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
1-azulen-2-ylethanone
CID 15255141
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
2-[2-(3-acetylphenyl)phenyl]acetic acid
CID 11572401

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone (CID 144853232) is 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone is CC(=O)c1cccc(-c2ccc(C)c(CO)c2)c1.
What is the InChIKey of 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone?
The InChIKey is GRTHISABRMRDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-6-7-15(9-16(11)10-17)14-5-3-4-13(8-14)12(2)18/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone?
1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone is sourced from PubChem (CID 144853232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).