3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride

C14H16ClNO2 — CID 70614947

IUPAC3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride
SMILESCl.Nc1ccc(C(O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO2.ClH/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10;/h1-8,14,16-17H,9,15H2;1H
InChIKeyJPUMXKSFWSCSJW-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.67
Rot. Bonds3

About 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride

3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride (PubChem CID 70614947) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride
PubChem CID70614947
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride
SMILESCl.Nc1ccc(C(O)Cc2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO2.ClH/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10;/h1-8,14,16-17H,9,15H2;1H
InChIKeyJPUMXKSFWSCSJW-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.67
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

3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
5-(3-hydroxyphenyl)pentane-1,3,4-triol
CID 175541454
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[2-(furan-2-yl)-2-hydroxyethyl]phenol
CID 71201493
3-(2-sulfanylpropyl)phenol
CID 115013475
4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
3-(2-fluoro-3-hydroxypropyl)phenol
CID 105434418
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride?
The IUPAC name of 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride (CID 70614947) is 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride?
The canonical SMILES for 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride is Cl.Nc1ccc(C(O)Cc2cccc(O)c2)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride?
The InChIKey is JPUMXKSFWSCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.ClH/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10;/h1-8,14,16-17H,9,15H2;1H.
What are the key properties of 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride?
3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)-2-hydroxyethyl]phenol;hydrochloride is sourced from PubChem (CID 70614947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).