(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone

C14H12ClNO4 — CID 88743414

IUPAC(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)c(O)c(N)c2O)cc1
InChIInChI=1S/C14H12ClNO4/c1-20-8-4-2-7(3-5-8)12(17)9-6-10(15)14(19)11(16)13(9)18/h2-6,18-19H,16H2,1H3
InChIKeyZUYGGHOVNQTODO-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.57
Rot. Bonds3

About (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone

(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone (PubChem CID 88743414) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
PubChem CID88743414
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)c(O)c(N)c2O)cc1
InChIInChI=1S/C14H12ClNO4/c1-20-8-4-2-7(3-5-8)12(17)9-6-10(15)14(19)11(16)13(9)18/h2-6,18-19H,16H2,1H3
InChIKeyZUYGGHOVNQTODO-UHFFFAOYSA-N
XLogP2.57
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride
CID 70554532
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
CID 14143073
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(7-chloro-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 66804747
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone (CID 88743414) is (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Cl)c(O)c(N)c2O)cc1.
What is the InChIKey of (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone?
The InChIKey is ZUYGGHOVNQTODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-20-8-4-2-7(3-5-8)12(17)9-6-10(15)14(19)11(16)13(9)18/h2-6,18-19H,16H2,1H3.
What are the key properties of (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone?
(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone has a molecular weight of 293.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 88743414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).