2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol

C12H13NO3 — CID 115083874

IUPAC2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESCC(O)c1coc(Cc2ccccc2O)n1
InChIInChI=1S/C12H13NO3/c1-8(14)10-7-16-12(13-10)6-9-4-2-3-5-11(9)15/h2-5,7-8,14-15H,6H2,1H3
InChIKeyMCTFYCNLZBQYMN-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.02
Rot. Bonds3

About 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol

2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol (PubChem CID 115083874) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
PubChem CID115083874
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESCC(O)c1coc(Cc2ccccc2O)n1
InChIInChI=1S/C12H13NO3/c1-8(14)10-7-16-12(13-10)6-9-4-2-3-5-11(9)15/h2-5,7-8,14-15H,6H2,1H3
InChIKeyMCTFYCNLZBQYMN-UHFFFAOYSA-N
XLogP2.02
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol?
The IUPAC name of 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol (CID 115083874) is 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol is CC(O)c1coc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol?
The InChIKey is MCTFYCNLZBQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)10-7-16-12(13-10)6-9-4-2-3-5-11(9)15/h2-5,7-8,14-15H,6H2,1H3.
What are the key properties of 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol?
2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol has a molecular weight of 219.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol is sourced from PubChem (CID 115083874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).