2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol

C15H16N2O3 — CID 167676183

IUPAC2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2o1.Nc1ccccc1O
InChIInChI=1S/C9H9NO2.C6H7NO/c1-6(11)9-10-7-4-2-3-5-8(7)12-9;7-5-3-1-2-4-6(5)8/h2-6,11H,1H3;1-4,8H,7H2
InChIKeyUVOSPUUHKIYIGO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds1

About 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol

2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol (PubChem CID 167676183) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol.

Molecular Properties

Compound Name2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
PubChem CID167676183
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
SMILESCC(O)c1nc2ccccc2o1.Nc1ccccc1O
InChIInChI=1S/C9H9NO2.C6H7NO/c1-6(11)9-10-7-4-2-3-5-8(7)12-9;7-5-3-1-2-4-6(5)8/h2-6,11H,1H3;1-4,8H,7H2
InChIKeyUVOSPUUHKIYIGO-UHFFFAOYSA-N
XLogP2.86
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
CID 66263440
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
CID 116999943
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
CID 59918149
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
CID 58458983
actinium;2-[(1R)-1-hydroxyethyl]-3,1-benzoxazin-4-one
CID 59122433
3-(1,3-benzoxazol-2-ylsulfanyl)butan-2-ol
CID 79033827
3-amino-4-(1,3-benzoxazol-2-yl)-4-hydroxybutanoic acid
CID 66853727

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol?
The IUPAC name of 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol (CID 167676183) is 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol.
What is the SMILES notation for 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol?
The canonical SMILES for 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol is CC(O)c1nc2ccccc2o1.Nc1ccccc1O.
What is the InChIKey of 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol?
The InChIKey is UVOSPUUHKIYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C6H7NO/c1-6(11)9-10-7-4-2-3-5-8(7)12-9;7-5-3-1-2-4-6(5)8/h2-6,11H,1H3;1-4,8H,7H2.
What are the key properties of 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol?
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol has a molecular weight of 272.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol is sourced from PubChem (CID 167676183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).