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

C14H8ClF3O2 — CID 103301430

IUPAC(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H8ClF3O2/c1-20-13-4-7(15)2-3-8(13)14(19)9-5-11(17)12(18)6-10(9)16/h2-6H,1H3
InChIKeyKLSULLUQIAROQX-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.00
Rot. Bonds3

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

(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103301430) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103301430
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H8ClF3O2/c1-20-13-4-7(15)2-3-8(13)14(19)9-5-11(17)12(18)6-10(9)16/h2-6H,1H3
InChIKeyKLSULLUQIAROQX-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.00
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

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
4-chloro-2-methoxybenzamide
CID 19741766
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
sodium (4-chloro-2-methoxybenzoyl)azanide
CID 143390401
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone (CID 103301430) is (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone is COc1cc(Cl)ccc1C(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is KLSULLUQIAROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c1-20-13-4-7(15)2-3-8(13)14(19)9-5-11(17)12(18)6-10(9)16/h2-6H,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone?
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 300.66 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103301430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).