(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone

C15H13ClO4 — CID 518799

IUPAC(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)c(OC)cc2O)cc1
InChIInChI=1S/C15H13ClO4/c1-19-10-5-3-9(4-6-10)15(18)11-7-12(16)14(20-2)8-13(11)17/h3-8,17H,1-2H3
InChIKeyVDMMBVHCLKJIIL-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.29
Rot. Bonds4

About (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone

(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone (PubChem CID 518799) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
PubChem CID518799
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)c(OC)cc2O)cc1
InChIInChI=1S/C15H13ClO4/c1-19-10-5-3-9(4-6-10)15(18)11-7-12(16)14(20-2)8-13(11)17/h3-8,17H,1-2H3
InChIKeyVDMMBVHCLKJIIL-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 162345424
(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
CID 88743414
(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
CID 162345540
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
CID 14143073
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone (CID 518799) is (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Cl)c(OC)cc2O)cc1.
What is the InChIKey of (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone?
The InChIKey is VDMMBVHCLKJIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-19-10-5-3-9(4-6-10)15(18)11-7-12(16)14(20-2)8-13(11)17/h3-8,17H,1-2H3.
What are the key properties of (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone?
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone has a molecular weight of 292.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 518799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).