(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone

C18H12Cl2O — CID 79591374

IUPAC(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c3ccccc23)cc1Cl
InChIInChI=1S/C18H12Cl2O/c1-11-6-7-12(10-17(11)20)18(21)15-8-9-16(19)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyINKCLRPBEPQDHN-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.69
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone

(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone (PubChem CID 79591374) has the molecular formula C18H12Cl2O and a molecular weight of 315.20 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
PubChem CID79591374
Molecular FormulaC18H12Cl2O
Molecular Weight315.20 g/mol
Exact Mass314.03
IUPAC Name(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c3ccccc23)cc1Cl
InChIInChI=1S/C18H12Cl2O/c1-11-6-7-12(10-17(11)20)18(21)15-8-9-16(19)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyINKCLRPBEPQDHN-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79593248
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561297
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone (CID 79591374) is (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2ccc(Cl)c3ccccc23)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone?
The InChIKey is INKCLRPBEPQDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O/c1-11-6-7-12(10-17(11)20)18(21)15-8-9-16(19)14-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone?
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone has a molecular weight of 315.20 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone is sourced from PubChem (CID 79591374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).