1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one

C16H15ClO — CID 43160394

IUPAC1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClO/c1-16(2,13-6-4-3-5-7-13)15(18)12-8-10-14(17)11-9-12/h3-11H,1-2H3
InChIKeyBTURVZXTTLNSRJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.50
Rot. Bonds3

About 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one

1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one (PubChem CID 43160394) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
PubChem CID43160394
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClO/c1-16(2,13-6-4-3-5-7-13)15(18)12-8-10-14(17)11-9-12/h3-11H,1-2H3
InChIKeyBTURVZXTTLNSRJ-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084504
2-amino-3-(4-chlorophenyl)-3-oxo-2-phenylpropanoic acid
CID 69400061
1-(4-butan-2-ylphenyl)-2-methyl-2-phenylpropan-1-one
CID 43337805
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 107475705
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone
CID 18982559
4-chloro(13C)benzoic acid
CID 66995527
4-chlorobenzoate;tris(2-methyl-2-phenylpropyl)stannanylium
CID 161224128
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
4-chlorobenzoic acid;fluoromethane
CID 174932068

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one (CID 43160394) is 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is BTURVZXTTLNSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-16(2,13-6-4-3-5-7-13)15(18)12-8-10-14(17)11-9-12/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one?
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 258.75 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 43160394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).