(3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone

C14H7Cl2F3O2 — CID 70406802

IUPAC(3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O2/c15-9-3-1-2-8(12(9)14(17,18)19)13(21)7-4-5-11(20)10(16)6-7/h1-6,20H
InChIKeyFCPCJPAVNKESOG-UHFFFAOYSA-N
MW335.11 g/mol
LogP4.95
Rot. Bonds2

About (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone

(3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 70406802) has the molecular formula C14H7Cl2F3O2 and a molecular weight of 335.11 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone
PubChem CID70406802
Molecular FormulaC14H7Cl2F3O2
Molecular Weight335.11 g/mol
Exact Mass333.98
IUPAC Name(3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O2/c15-9-3-1-2-8(12(9)14(17,18)19)13(21)7-4-5-11(20)10(16)6-7/h1-6,20H
InChIKeyFCPCJPAVNKESOG-UHFFFAOYSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone (CID 70406802) is (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(O)c(Cl)c1)c1cccc(Cl)c1C(F)(F)F.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is FCPCJPAVNKESOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O2/c15-9-3-1-2-8(12(9)14(17,18)19)13(21)7-4-5-11(20)10(16)6-7/h1-6,20H.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone?
(3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 335.11 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[3-chloro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70406802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).