(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone

C18H13ClO — CID 71481457

IUPAC(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11H,1H3
InChIKeySXQGWXBYGWGWOK-UHFFFAOYSA-N
MW280.75 g/mol
LogP5.03
Rot. Bonds2

About (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone

(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 71481457) has the molecular formula C18H13ClO and a molecular weight of 280.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID71481457
Molecular FormulaC18H13ClO
Molecular Weight280.75 g/mol
Exact Mass280.07
IUPAC Name(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11H,1H3
InChIKeySXQGWXBYGWGWOK-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.75
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone
CID 53375503
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 115937369
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
2-chloro-1-(2-methylnaphthalen-1-yl)butan-1-one
CID 146007450

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone (CID 71481457) is (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is SXQGWXBYGWGWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO/c1-12-6-7-13-4-2-3-5-16(13)17(12)18(20)14-8-10-15(19)11-9-14/h2-11H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 280.75 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 71481457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).