(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone

C17H17ClO — CID 106860797

IUPAC(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)C)cc2)c(Cl)c1
InChIInChI=1S/C17H17ClO/c1-11(2)13-5-7-14(8-6-13)17(19)15-9-4-12(3)10-16(15)18/h4-11H,1-3H3
InChIKeyQXLQWNDCBRQBDB-UHFFFAOYSA-N
MW272.78 g/mol
LogP5.00
Rot. Bonds3

About (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone

(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 106860797) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID106860797
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C(C)C)cc2)c(Cl)c1
InChIInChI=1S/C17H17ClO/c1-11(2)13-5-7-14(8-6-13)17(19)15-9-4-12(3)10-16(15)18/h4-11H,1-3H3
InChIKeyQXLQWNDCBRQBDB-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.78
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 106860734
(4-methylphenyl)-[4-[2-[4-(4-propan-2-ylbenzoyl)phenyl]ethynyl]phenyl]methanone
CID 91278479
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone (CID 106860797) is (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C(C)C)cc2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is QXLQWNDCBRQBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11(2)13-5-7-14(8-6-13)17(19)15-9-4-12(3)10-16(15)18/h4-11H,1-3H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone?
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 272.78 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 106860797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).