[4-amino-2-(hydroxymethyl)phenyl]methanol

C8H11NO2 — CID 6422064

IUPAC[4-amino-2-(hydroxymethyl)phenyl]methanol
SMILESNc1ccc(CO)c(CO)c1
InChIInChI=1S/C8H11NO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5,9H2
InChIKeyXYCAOJYRZJFHAZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.25
Rot. Bonds2

About [4-amino-2-(hydroxymethyl)phenyl]methanol

[4-amino-2-(hydroxymethyl)phenyl]methanol (PubChem CID 6422064) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is [4-amino-2-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-amino-2-(hydroxymethyl)phenyl]methanol
PubChem CID6422064
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name[4-amino-2-(hydroxymethyl)phenyl]methanol
SMILESNc1ccc(CO)c(CO)c1
InChIInChI=1S/C8H11NO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5,9H2
InChIKeyXYCAOJYRZJFHAZ-UHFFFAOYSA-N
XLogP0.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.25
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-Aminobenzyl alcohol
CID 69331
1-(3-Aminophenyl)ethanol
CID 222461
4-Aminophenethyl alcohol
CID 66904
3-Aminobenzyl alcohol
CID 80293
2-(4-Aminophenyl)propan-2-ol
CID 9543261
1,3-Dihydro-2-benzofuran-5-amine
CID 12445339
4-Amino-alpha-methylbenzenemethanol
CID 85753
(3-Amino-2-methylphenyl)methanol
CID 577175
(3-Amino-4-methylphenyl)methanol
CID 586243
(3-Aminophenyl)(phenyl)methanol
CID 292403
4-(Hydroxymethyl)benzenediazonium
CID 122997
1-(4-(Hydroxymethyl)phenyl)guanidine
CID 17975425

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [4-amino-2-(hydroxymethyl)phenyl]methanol (CID 6422064) is [4-amino-2-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [4-amino-2-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [4-amino-2-(hydroxymethyl)phenyl]methanol is Nc1ccc(CO)c(CO)c1.
What is the InChIKey of [4-amino-2-(hydroxymethyl)phenyl]methanol?
The InChIKey is XYCAOJYRZJFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5,9H2.
What are the key properties of [4-amino-2-(hydroxymethyl)phenyl]methanol?
[4-amino-2-(hydroxymethyl)phenyl]methanol has a molecular weight of 153.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 6422064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).