(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone

C14H9Cl3O4 — CID 162345540

IUPAC(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
SMILESCOc1cc(O)c(C(=O)c2cc(Cl)cc(Cl)c2O)cc1Cl
InChIInChI=1S/C14H9Cl3O4/c1-21-12-5-11(18)7(4-9(12)16)13(19)8-2-6(15)3-10(17)14(8)20/h2-5,18,20H,1H3
InChIKeyUMUHGIPVQLPDOG-UHFFFAOYSA-N
MW347.58 g/mol
LogP4.30
Rot. Bonds3

About (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone

(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone (PubChem CID 162345540) has the molecular formula C14H9Cl3O4 and a molecular weight of 347.58 g/mol. Its IUPAC name is (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
PubChem CID162345540
Molecular FormulaC14H9Cl3O4
Molecular Weight347.58 g/mol
Exact Mass345.96
IUPAC Name(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
SMILESCOc1cc(O)c(C(=O)c2cc(Cl)cc(Cl)c2O)cc1Cl
InChIInChI=1S/C14H9Cl3O4/c1-21-12-5-11(18)7(4-9(12)16)13(19)8-2-6(15)3-10(17)14(8)20/h2-5,18,20H,1H3
InChIKeyUMUHGIPVQLPDOG-UHFFFAOYSA-N
XLogP4.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 162345424
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone
CID 46863047
methyl 4-(5-chloro-2-hydroxy-4-methoxyphenyl)-4-hydroxyiminobutanoate
CID 137123653
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
4-chloro-5-methoxy-2-methylphenol
CID 21341377
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone?
The IUPAC name of (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone (CID 162345540) is (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone is COc1cc(O)c(C(=O)c2cc(Cl)cc(Cl)c2O)cc1Cl.
What is the InChIKey of (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone?
The InChIKey is UMUHGIPVQLPDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O4/c1-21-12-5-11(18)7(4-9(12)16)13(19)8-2-6(15)3-10(17)14(8)20/h2-5,18,20H,1H3.
What are the key properties of (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone?
(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone has a molecular weight of 347.58 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 162345540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).