(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone

C13H8Cl2O2 — CID 522515

IUPAC(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H
InChIKeyKQEKLTCGLCEOFY-UHFFFAOYSA-N
MW267.11 g/mol
LogP3.93
Rot. Bonds2

About (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone

(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone (PubChem CID 522515) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone
PubChem CID522515
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H
InChIKeyKQEKLTCGLCEOFY-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichlorosalicylic acid
CID 9445
Chlorohydroxy benzophenone
CID 6799
2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-phenyl-
CID 5377516
3,5-Dichlorosalicylaldehyde
CID 66660
4-Chloro-2'-hydroxychalcone
CID 5372946
1-(5-Chloro-2-hydroxyphenyl)-3-phenyl-1,3-propanedione
CID 724088
3-Chloro-2-hydroxy-5-phenylbenzoic acid
CID 20521547
3-Chloro-6-hydroxyacetophenone
CID 74061
(2E)-1-(5-chloro-2-hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 5908055
2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyphenyl)-
CID 10564291
3-(2-Chlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5708882
2,4-Pentadien-1-one, 1-(5-chloro-2-hydroxyphenyl)-5-phenyl-
CID 1815444

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone (CID 522515) is (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is KQEKLTCGLCEOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H.
What are the key properties of (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone?
(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 267.11 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 522515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).