(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone

C19H15ClO — CID 79591122

IUPAC(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c3ccccc23)c(C)c1
InChIInChI=1S/C19H15ClO/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11H,1-2H3
InChIKeyPHYAJDJMBKJLKW-UHFFFAOYSA-N
MW294.78 g/mol
LogP5.34
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone

(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone (PubChem CID 79591122) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
PubChem CID79591122
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c3ccccc23)c(C)c1
InChIInChI=1S/C19H15ClO/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11H,1-2H3
InChIKeyPHYAJDJMBKJLKW-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107096188

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone (CID 79591122) is (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)c3ccccc23)c(C)c1.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone?
The InChIKey is PHYAJDJMBKJLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c1-12-7-8-14(13(2)11-12)19(21)17-9-10-18(20)16-6-4-3-5-15(16)17/h3-11H,1-2H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone?
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone has a molecular weight of 294.78 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 79591122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).