2-amino-4-(hydroxymethyl)phenol

C7H9NO2 — CID 12000270

IUPAC2-amino-4-(hydroxymethyl)phenol
SMILESNc1cc(CO)ccc1O
InChIInChI=1S/C7H9NO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4,8H2
InChIKeyNGYKCAMDGXRBNP-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.47
Rot. Bonds1

About 2-amino-4-(hydroxymethyl)phenol

2-amino-4-(hydroxymethyl)phenol (PubChem CID 12000270) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-amino-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(hydroxymethyl)phenol
PubChem CID12000270
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-amino-4-(hydroxymethyl)phenol
SMILESNc1cc(CO)ccc1O
InChIInChI=1S/C7H9NO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4,8H2
InChIKeyNGYKCAMDGXRBNP-UHFFFAOYSA-N
XLogP0.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diaminophenyl)methanol;hydrochloride
CID 174554686
(3,4-diaminophenyl)methanol;dihydrochloride
CID 24721578
2-amino-4-(methylsulfonylmethyl)phenol
CID 117221684
2-amino-4-[2-[2-(3-amino-4-hydroxyphenyl)ethylsulfonyl]ethyl]phenol
CID 54080899
2-amino-4-[(3-aminophenyl)methyl]phenol
CID 23106855
2-amino-4-(2-aminoethoxymethyl)phenol
CID 155692143
2-amino-4-[(dibenzylamino)methyl]phenol
CID 130157268
2-amino-4-(2,2-dimethylpropyl)phenol;4-(2,2-dimethylpropyl)aniline
CID 159897001
2-amino-4-[(propan-2-ylamino)methyl]phenol
CID 84657542
2-amino-4-[(4-chlorophenyl)methylsulfanylmethyl]phenol
CID 114790369
[3-amino-4-(2-aminophenyl)phenyl]methanol
CID 68789508
(4-amino-3-iodophenyl)methanol
CID 22724559

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hydroxymethyl)phenol?
The IUPAC name of 2-amino-4-(hydroxymethyl)phenol (CID 12000270) is 2-amino-4-(hydroxymethyl)phenol.
What is the SMILES notation for 2-amino-4-(hydroxymethyl)phenol?
The canonical SMILES for 2-amino-4-(hydroxymethyl)phenol is Nc1cc(CO)ccc1O.
What is the InChIKey of 2-amino-4-(hydroxymethyl)phenol?
The InChIKey is NGYKCAMDGXRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4,8H2.
What are the key properties of 2-amino-4-(hydroxymethyl)phenol?
2-amino-4-(hydroxymethyl)phenol has a molecular weight of 139.15 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hydroxymethyl)phenol is sourced from PubChem (CID 12000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).