(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride

C14H13Cl2NO3 — CID 70554532

IUPAC(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)c2cc(Cl)cc(N)c2O)cc1.Cl
InChIInChI=1S/C14H12ClNO3.ClH/c1-19-10-4-2-8(3-5-10)13(17)11-6-9(15)7-12(16)14(11)18;/h2-7,18H,16H2,1H3;1H
InChIKeyDUDIXALQCIPUDC-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.29
Rot. Bonds3

About (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride

(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride (PubChem CID 70554532) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride
PubChem CID70554532
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Name(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)c2cc(Cl)cc(N)c2O)cc1.Cl
InChIInChI=1S/C14H12ClNO3.ClH/c1-19-10-4-2-8(3-5-10)13(17)11-6-9(15)7-12(16)14(11)18;/h2-7,18H,16H2,1H3;1H
InChIKeyDUDIXALQCIPUDC-UHFFFAOYSA-N
XLogP3.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
CID 88743414
(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 13192784
(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
CID 14143073
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
CID 154631055
methyl 4-(3-amino-5-fluoro-2-hydroxybenzoyl)benzoate
CID 70556532
sodium;3,4-dihydroxy-2-methoxy-5-(4-methoxybenzoyl)benzenesulfonic acid;hydride
CID 175337260
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide
CID 130352475
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 3639099

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride (CID 70554532) is (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride is COc1ccc(C(=O)c2cc(Cl)cc(N)c2O)cc1.Cl.
What is the InChIKey of (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride?
The InChIKey is DUDIXALQCIPUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3.ClH/c1-19-10-4-2-8(3-5-10)13(17)11-6-9(15)7-12(16)14(11)18;/h2-7,18H,16H2,1H3;1H.
What are the key properties of (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride?
(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride has a molecular weight of 314.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 70554532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).