(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone

C16H15ClO2 — CID 43339771

IUPAC(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C)c2C)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-10-5-4-6-13(11(10)2)16(18)12-7-8-15(19-3)14(17)9-12/h4-9H,1-3H3
InChIKeyTYTCLTKLRXHDDM-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.20
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone

(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 43339771) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
PubChem CID43339771
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C)c2C)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-10-5-4-6-13(11(10)2)16(18)12-7-8-15(19-3)14(17)9-12/h4-9H,1-3H3
InChIKeyTYTCLTKLRXHDDM-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
CID 70836286

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone (CID 43339771) is (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone is COc1ccc(C(=O)c2cccc(C)c2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is TYTCLTKLRXHDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-5-4-6-13(11(10)2)16(18)12-7-8-15(19-3)14(17)9-12/h4-9H,1-3H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone?
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone has a molecular weight of 274.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 43339771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).