(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone

C15H12Cl2O2 — CID 43625949

IUPAC(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-9-3-6-14(19-2)11(7-9)15(18)10-4-5-12(16)13(17)8-10/h3-8H,1-2H3
InChIKeyUGRKLYXIEUVULM-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.54
Rot. Bonds3

About (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone

(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 43625949) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID43625949
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-9-3-6-14(19-2)11(7-9)15(18)10-4-5-12(16)13(17)8-10/h3-8H,1-2H3
InChIKeyUGRKLYXIEUVULM-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone (CID 43625949) is (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is UGRKLYXIEUVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-9-3-6-14(19-2)11(7-9)15(18)10-4-5-12(16)13(17)8-10/h3-8H,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 295.17 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 43625949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).