(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone

C13H7Cl3O2 — CID 70624009

IUPAC(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C13H7Cl3O2/c14-8-3-1-2-7(4-8)13(18)9-5-10(15)11(16)6-12(9)17/h1-6,17H
InChIKeyBLPNXYRTOSDNFB-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.58
Rot. Bonds2

About (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone

(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone (PubChem CID 70624009) has the molecular formula C13H7Cl3O2 and a molecular weight of 301.56 g/mol. Its IUPAC name is (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
PubChem CID70624009
Molecular FormulaC13H7Cl3O2
Molecular Weight301.56 g/mol
Exact Mass299.95
IUPAC Name(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C13H7Cl3O2/c14-8-3-1-2-7(4-8)13(18)9-5-10(15)11(16)6-12(9)17/h1-6,17H
InChIKeyBLPNXYRTOSDNFB-UHFFFAOYSA-N
XLogP4.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-(3-chlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate
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CID 24798848
(3-aminophenyl)-(3-chlorophenyl)methanone
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(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
S-chloro 3-chlorobenzenecarbothioate
CID 13107760
3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile
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(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone?
The IUPAC name of (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone (CID 70624009) is (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone is O=C(c1cccc(Cl)c1)c1cc(Cl)c(Cl)cc1O.
What is the InChIKey of (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone?
The InChIKey is BLPNXYRTOSDNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O2/c14-8-3-1-2-7(4-8)13(18)9-5-10(15)11(16)6-12(9)17/h1-6,17H.
What are the key properties of (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone?
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone has a molecular weight of 301.56 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 70624009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).