(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone

C13H10ClNO3 — CID 126962380

IUPAC(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone
SMILESNc1cc(O)c(Cl)cc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H10ClNO3/c14-10-5-9(11(15)6-12(10)17)13(18)7-1-3-8(16)4-2-7/h1-6,16-17H,15H2
InChIKeyAEEAHPZBAOLPHV-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.56
Rot. Bonds2

About (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone

(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone (PubChem CID 126962380) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone
PubChem CID126962380
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone
SMILESNc1cc(O)c(Cl)cc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H10ClNO3/c14-10-5-9(11(15)6-12(10)17)13(18)7-1-3-8(16)4-2-7/h1-6,16-17H,15H2
InChIKeyAEEAHPZBAOLPHV-UHFFFAOYSA-N
XLogP2.56
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
[3-chloro-4-(4-hydroxybenzoyl)phenyl] acetate
CID 57324725
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
CID 66793282
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
1-(2-amino-4-chloro-5-hydroxyphenyl)-2-chloroethanone
CID 171022257
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone (CID 126962380) is (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone is Nc1cc(O)c(Cl)cc1C(=O)c1ccc(O)cc1.
What is the InChIKey of (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone?
The InChIKey is AEEAHPZBAOLPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-5-9(11(15)6-12(10)17)13(18)7-1-3-8(16)4-2-7/h1-6,16-17H,15H2.
What are the key properties of (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone?
(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone has a molecular weight of 263.68 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 126962380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).