1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone

C18H20O2 — CID 172649649

IUPAC1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H20O2/c1-12(2)20-17-7-5-6-16(10-17)18-11-15(14(4)19)9-8-13(18)3/h5-12H,1-4H3
InChIKeyAHOYFOKAGBDJNO-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.65
Rot. Bonds4

About 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone

1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone (PubChem CID 172649649) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
PubChem CID172649649
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H20O2/c1-12(2)20-17-7-5-6-16(10-17)18-11-15(14(4)19)9-8-13(18)3/h5-12H,1-4H3
InChIKeyAHOYFOKAGBDJNO-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone 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

1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
CID 105409209
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
2-[3-(2-methylphenyl)phenoxy]propanoic acid
CID 82044805
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 172649659
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 82117119
5-fluoro-2-(3-propan-2-yloxyphenyl)phenol
CID 83130979
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone (CID 172649649) is 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone is CC(=O)c1ccc(C)c(-c2cccc(OC(C)C)c2)c1.
What is the InChIKey of 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone?
The InChIKey is AHOYFOKAGBDJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12(2)20-17-7-5-6-16(10-17)18-11-15(14(4)19)9-8-13(18)3/h5-12H,1-4H3.
What are the key properties of 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone?
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone is sourced from PubChem (CID 172649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).