(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone

C14H9Cl3O — CID 63492857

IUPAC(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c1-8-2-3-9(6-12(8)16)14(18)11-5-4-10(15)7-13(11)17/h2-7H,1H3
InChIKeyBNXKXEFZVIVGTL-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.19
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone

(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone (PubChem CID 63492857) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
PubChem CID63492857
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c1-8-2-3-9(6-12(8)16)14(18)11-5-4-10(15)7-13(11)17/h2-7H,1H3
InChIKeyBNXKXEFZVIVGTL-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.58
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone (CID 63492857) is (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone?
The InChIKey is BNXKXEFZVIVGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c1-8-2-3-9(6-12(8)16)14(18)11-5-4-10(15)7-13(11)17/h2-7H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone?
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone has a molecular weight of 299.58 g/mol, XLogP of 5.19, 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)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 63492857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).