(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride

C13H12ClNO3 — CID 70538828

IUPAC(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
SMILESCl.Nc1c(O)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C13H11NO3.ClH/c14-11-10(15)7-6-9(13(11)17)12(16)8-4-2-1-3-5-8;/h1-7,15,17H,14H2;1H
InChIKeyYNBXZGXZKRNOAC-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.33
Rot. Bonds2

About (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride

(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride (PubChem CID 70538828) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
PubChem CID70538828
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
SMILESCl.Nc1c(O)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C13H11NO3.ClH/c14-11-10(15)7-6-9(13(11)17)12(16)8-4-2-1-3-5-8;/h1-7,15,17H,14H2;1H
InChIKeyYNBXZGXZKRNOAC-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.33
H-Bond Donors ≤ 53
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

(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
(3,4-dihydroxy-2-nitrosophenyl)-phenylmethanone
CID 166883614
3-benzoyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 135589785
4-amino-2-benzoylbenzoic acid
CID 21494601
(2-aminophenyl)-phenylmethanone
CID 158207972
bis(diphenylmethanone);dihydrochloride
CID 69107757
[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-phenylmethanone
CID 70472196
[3-(1,3-dihydroxypropan-2-ylamino)-2,4-dihydroxyphenyl]-phenylmethanone
CID 15856191
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
2-[2-(aminomethyl)-6-benzoyl-3-hydroxyphenyl]acetic acid
CID 175032473
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
zinc;4-benzoyl-2-carboxybenzene-1,3-diolate;3-benzoyl-2,6-dihydroxybenzoic acid
CID 102209801

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride?
The IUPAC name of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride (CID 70538828) is (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride?
The canonical SMILES for (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride is Cl.Nc1c(O)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride?
The InChIKey is YNBXZGXZKRNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3.ClH/c14-11-10(15)7-6-9(13(11)17)12(16)8-4-2-1-3-5-8;/h1-7,15,17H,14H2;1H.
What are the key properties of (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride?
(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 70538828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).