4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride

C12H12ClNO2 — CID 23514495

IUPAC4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
SMILESCl.Nc1ccc(O)c(-c2cccc(O)c2)c1
InChIInChI=1S/C12H11NO2.ClH/c13-9-4-5-12(15)11(7-9)8-2-1-3-10(14)6-8;/h1-7,14-15H,13H2;1H
InChIKeyVIMSOOVPYNUTNT-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.77
Rot. Bonds1

About 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride

4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride (PubChem CID 23514495) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
PubChem CID23514495
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
SMILESCl.Nc1ccc(O)c(-c2cccc(O)c2)c1
InChIInChI=1S/C12H11NO2.ClH/c13-9-4-5-12(15)11(7-9)8-2-1-3-10(14)6-8;/h1-7,14-15H,13H2;1H
InChIKeyVIMSOOVPYNUTNT-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
CID 23514550
azulene-1,5-diol
CID 71327638
5-amino-2-(3-aminophenyl)phenol;hydrochloride
CID 22023366
3-[2,3-bis(3-aminophenyl)phenyl]phenol
CID 139931818
4-amino-2-(4-methylphenyl)phenol;hydrochloride
CID 22706619
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
4-amino-2-(4-methylphenyl)phenol
CID 22256169
4-amino-2-(furan-3-yl)phenol;hydrochloride
CID 22596887
4-amino-2-[5-amino-2-(methylamino)phenyl]phenol
CID 18371929
4-amino-2-(2-methylsulfanylphenyl)phenol;hydrochloride
CID 22706661
4-amino-2-(furan-3-yl)phenol
CID 15553238
3-aminophenol;molecular nitrogen
CID 174840874

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride?
The IUPAC name of 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride (CID 23514495) is 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride.
What is the SMILES notation for 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride?
The canonical SMILES for 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride is Cl.Nc1ccc(O)c(-c2cccc(O)c2)c1.
What is the InChIKey of 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride?
The InChIKey is VIMSOOVPYNUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.ClH/c13-9-4-5-12(15)11(7-9)8-2-1-3-10(14)6-8;/h1-7,14-15H,13H2;1H.
What are the key properties of 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride?
4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of 2.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride is sourced from PubChem (CID 23514495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).