(3-aminophenyl)methanol;phenol

C13H15NO2 — CID 174804454

IUPAC(3-aminophenyl)methanol;phenol
SMILESNc1cccc(CO)c1.Oc1ccccc1
InChIInChI=1S/C7H9NO.C6H6O/c8-7-3-1-2-6(4-7)5-9;7-6-4-2-1-3-5-6/h1-4,9H,5,8H2;1-5,7H
InChIKeyYQOVARGZIWOLQZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.15
Rot. Bonds1

About (3-aminophenyl)methanol;phenol

(3-aminophenyl)methanol;phenol (PubChem CID 174804454) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3-aminophenyl)methanol;phenol.

Molecular Properties

Compound Name(3-aminophenyl)methanol;phenol
PubChem CID174804454
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(3-aminophenyl)methanol;phenol
SMILESNc1cccc(CO)c1.Oc1ccccc1
InChIInChI=1S/C7H9NO.C6H6O/c8-7-3-1-2-6(4-7)5-9;7-6-4-2-1-3-5-6/h1-4,9H,5,8H2;1-5,7H
InChIKeyYQOVARGZIWOLQZ-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.15
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

4-aminophenol;phenylmethanol
CID 174233952
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
aniline;benzene;phenol
CID 159610058
aniline;phenol
CID 174726991
4-(hydroxymethyl)phenol;phenol
CID 141229785
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
aniline;benzene;benzene-1,4-diol
CID 175585204
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
3-(3-aminophenyl)propan-1-ol
CID 10103334
[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol
CID 113374088
2-amino-4-[(3-aminophenyl)methyl]phenol
CID 23106855

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)methanol;phenol?
The IUPAC name of (3-aminophenyl)methanol;phenol (CID 174804454) is (3-aminophenyl)methanol;phenol.
What is the SMILES notation for (3-aminophenyl)methanol;phenol?
The canonical SMILES for (3-aminophenyl)methanol;phenol is Nc1cccc(CO)c1.Oc1ccccc1.
What is the InChIKey of (3-aminophenyl)methanol;phenol?
The InChIKey is YQOVARGZIWOLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C6H6O/c8-7-3-1-2-6(4-7)5-9;7-6-4-2-1-3-5-6/h1-4,9H,5,8H2;1-5,7H.
What are the key properties of (3-aminophenyl)methanol;phenol?
(3-aminophenyl)methanol;phenol has a molecular weight of 217.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)methanol;phenol is sourced from PubChem (CID 174804454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).