2-(4,5-diamino-2-chlorophenyl)phenol

C12H11ClN2O — CID 153360343

IUPAC2-(4,5-diamino-2-chlorophenyl)phenol
SMILESNc1cc(Cl)c(-c2ccccc2O)cc1N
InChIInChI=1S/C12H11ClN2O/c13-9-6-11(15)10(14)5-8(9)7-3-1-2-4-12(7)16/h1-6,16H,14-15H2
InChIKeyGGIFOGAVNBFPKN-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.88
Rot. Bonds1

About 2-(4,5-diamino-2-chlorophenyl)phenol

2-(4,5-diamino-2-chlorophenyl)phenol (PubChem CID 153360343) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(4,5-diamino-2-chlorophenyl)phenol.

Molecular Properties

Compound Name2-(4,5-diamino-2-chlorophenyl)phenol
PubChem CID153360343
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(4,5-diamino-2-chlorophenyl)phenol
SMILESNc1cc(Cl)c(-c2ccccc2O)cc1N
InChIInChI=1S/C12H11ClN2O/c13-9-6-11(15)10(14)5-8(9)7-3-1-2-4-12(7)16/h1-6,16H,14-15H2
InChIKeyGGIFOGAVNBFPKN-UHFFFAOYSA-N
XLogP2.88
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chloro-4-pyridinyl)phenol
CID 139543768
5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
CID 58387188
2-[5-(2-aminoethyl)-2-chlorophenyl]phenol
CID 115046200
2-(4-chloronaphthalen-1-yl)phenol
CID 175271825
3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059720
4-chloro-5-(2-chlorophenyl)-2-ethylaniline
CID 90462567
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
2,5-dichloro-4-(2-fluorophenyl)phenol
CID 107663319
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-(3,5-diamino-2-pyridinyl)phenol
CID 136765356
2-(2-chlorophenyl)benzene-1,4-diamine
CID 18371389

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diamino-2-chlorophenyl)phenol?
The IUPAC name of 2-(4,5-diamino-2-chlorophenyl)phenol (CID 153360343) is 2-(4,5-diamino-2-chlorophenyl)phenol.
What is the SMILES notation for 2-(4,5-diamino-2-chlorophenyl)phenol?
The canonical SMILES for 2-(4,5-diamino-2-chlorophenyl)phenol is Nc1cc(Cl)c(-c2ccccc2O)cc1N.
What is the InChIKey of 2-(4,5-diamino-2-chlorophenyl)phenol?
The InChIKey is GGIFOGAVNBFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-6-11(15)10(14)5-8(9)7-3-1-2-4-12(7)16/h1-6,16H,14-15H2.
What are the key properties of 2-(4,5-diamino-2-chlorophenyl)phenol?
2-(4,5-diamino-2-chlorophenyl)phenol has a molecular weight of 234.69 g/mol, XLogP of 2.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diamino-2-chlorophenyl)phenol is sourced from PubChem (CID 153360343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).