(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone

C14H8Cl2F2O2 — CID 82783216

IUPAC(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C14H8Cl2F2O2/c1-20-7-2-3-8(10(15)4-7)14(19)9-5-13(18)11(16)6-12(9)17/h2-6H,1H3
InChIKeyMMXMFWVCARQOHG-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.51
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone

(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone (PubChem CID 82783216) has the molecular formula C14H8Cl2F2O2 and a molecular weight of 317.12 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
PubChem CID82783216
Molecular FormulaC14H8Cl2F2O2
Molecular Weight317.12 g/mol
Exact Mass315.99
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C14H8Cl2F2O2/c1-20-7-2-3-8(10(15)4-7)14(19)9-5-13(18)11(16)6-12(9)17/h2-6H,1H3
InChIKeyMMXMFWVCARQOHG-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561646
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone (CID 82783216) is (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(F)c(Cl)cc2F)c(Cl)c1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The InChIKey is MMXMFWVCARQOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O2/c1-20-7-2-3-8(10(15)4-7)14(19)9-5-13(18)11(16)6-12(9)17/h2-6H,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone has a molecular weight of 317.12 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 82783216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).