1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one

C17H17ClO — CID 62503294

IUPAC1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CCC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO/c1-13-2-4-14(5-3-13)8-11-17(19)12-15-6-9-16(18)10-7-15/h2-7,9-10H,8,11-12H2,1H3
InChIKeyQFQYWKXTELLMNP-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one

1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one (PubChem CID 62503294) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
PubChem CID62503294
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CCC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO/c1-13-2-4-14(5-3-13)8-11-17(19)12-15-6-9-16(18)10-7-15/h2-7,9-10H,8,11-12H2,1H3
InChIKeyQFQYWKXTELLMNP-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
1-(2-chloro-3-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 105127131
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
1-(2-chloro-5-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 102622334
1-amino-4-(4-chlorophenyl)butan-2-one
CID 59029546
1-(4-chlorophenyl)butan-2-one
CID 39237509
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
CID 146701430
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one (CID 62503294) is 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one is Cc1ccc(CCC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one?
The InChIKey is QFQYWKXTELLMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-13-2-4-14(5-3-13)8-11-17(19)12-15-6-9-16(18)10-7-15/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one?
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one has a molecular weight of 272.78 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one is sourced from PubChem (CID 62503294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).