3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one

C17H18O2 — CID 102344252

IUPAC3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H18O2/c1-12-3-6-14(7-4-12)16(18)10-8-15-11-13(2)5-9-17(15)19/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyVZYRVTRLORHFNG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.82
Rot. Bonds4

About 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one

3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one (PubChem CID 102344252) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
PubChem CID102344252
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H18O2/c1-12-3-6-14(7-4-12)16(18)10-8-15-11-13(2)5-9-17(15)19/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyVZYRVTRLORHFNG-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one 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

2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-5-oxopentanoate
CID 54397227
1-(4-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 162409528
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
3-fluoro-1-(4-methylphenyl)propan-1-one
CID 89142724
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726352

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one (CID 102344252) is 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCc2cc(C)ccc2O)cc1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is VZYRVTRLORHFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-3-6-14(7-4-12)16(18)10-8-15-11-13(2)5-9-17(15)19/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one?
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 102344252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).