(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone

C15H11Cl2FO2 — CID 81045720

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H11Cl2FO2/c1-8-5-11(12(17)7-13(8)18)15(19)10-4-3-9(16)6-14(10)20-2/h3-7H,1-2H3
InChIKeyYGYWZDTUSGOTPA-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.68
Rot. Bonds3

About (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone (PubChem CID 81045720) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
PubChem CID81045720
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C15H11Cl2FO2/c1-8-5-11(12(17)7-13(8)18)15(19)10-4-3-9(16)6-14(10)20-2/h3-7H,1-2H3
InChIKeyYGYWZDTUSGOTPA-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone (CID 81045720) is (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone is COc1cc(Cl)ccc1C(=O)c1cc(C)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone?
The InChIKey is YGYWZDTUSGOTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-8-5-11(12(17)7-13(8)18)15(19)10-4-3-9(16)6-14(10)20-2/h3-7H,1-2H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone has a molecular weight of 313.16 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 81045720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).