2-phenyl-1-(3-propan-2-ylphenyl)ethanone

C17H18O — CID 146007200

IUPAC2-phenyl-1-(3-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cccc(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H18O/c1-13(2)15-9-6-10-16(12-15)17(18)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3
InChIKeyDBKHMRJTMOBSDW-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.24
Rot. Bonds4

About 2-phenyl-1-(3-propan-2-ylphenyl)ethanone

2-phenyl-1-(3-propan-2-ylphenyl)ethanone (PubChem CID 146007200) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-phenyl-1-(3-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(3-propan-2-ylphenyl)ethanone
PubChem CID146007200
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-phenyl-1-(3-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cccc(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H18O/c1-13(2)15-9-6-10-16(12-15)17(18)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3
InChIKeyDBKHMRJTMOBSDW-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
CID 22282363
1-(3-iodophenyl)-2-phenylethanone
CID 24723883
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
1-(5-bromo-3-pyridinyl)-2-(3-propan-2-ylphenyl)ethanone
CID 147453705
2-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-1-(3-propan-2-ylphenyl)ethanone
CID 167662807
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
3-[[(3-propan-2-ylphenyl)methylamino]methyl]benzoic acid
CID 122033043
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-phenyl-1-(3-propan-2-ylphenyl)ethanone (CID 146007200) is 2-phenyl-1-(3-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-phenyl-1-(3-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-phenyl-1-(3-propan-2-ylphenyl)ethanone is CC(C)c1cccc(C(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-phenyl-1-(3-propan-2-ylphenyl)ethanone?
The InChIKey is DBKHMRJTMOBSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13(2)15-9-6-10-16(12-15)17(18)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-phenyl-1-(3-propan-2-ylphenyl)ethanone?
2-phenyl-1-(3-propan-2-ylphenyl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 146007200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).