(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone

C14H9Cl3O — CID 146005790

IUPAC(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl3O/c1-8-12(3-2-4-13(8)17)14(18)9-5-10(15)7-11(16)6-9/h2-7H,1H3
InChIKeyKHTQUVMFKQZVKJ-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.19
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone

(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone (PubChem CID 146005790) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
PubChem CID146005790
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl3O/c1-8-12(3-2-4-13(8)17)14(18)9-5-10(15)7-11(16)6-9/h2-7H,1H3
InChIKeyKHTQUVMFKQZVKJ-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

(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(3,5-dichlorophenyl)-(2-iodophenyl)methanone
CID 24723135
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
CID 114275342
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 107502317
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone (CID 146005790) is (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone is Cc1c(Cl)cccc1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone?
The InChIKey is KHTQUVMFKQZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c1-8-12(3-2-4-13(8)17)14(18)9-5-10(15)7-11(16)6-9/h2-7H,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone?
(3-chloro-2-methylphenyl)-(3,5-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-2-methylphenyl)-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 146005790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).