4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol

C14H11NO3 — CID 137133303

IUPAC4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol
SMILESOCc1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C14H11NO3/c16-8-9-1-6-13-12(7-9)15-14(18-13)10-2-4-11(17)5-3-10/h1-7,16-17H,8H2
InChIKeyCSCMODQTLPIEMH-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.69
Rot. Bonds2

About 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol

4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol (PubChem CID 137133303) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol
PubChem CID137133303
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol
SMILESOCc1ccc2oc(-c3ccc(O)cc3)nc2c1
InChIInChI=1S/C14H11NO3/c16-8-9-1-6-13-12(7-9)15-14(18-13)10-2-4-11(17)5-3-10/h1-7,16-17H,8H2
InChIKeyCSCMODQTLPIEMH-UHFFFAOYSA-N
XLogP2.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol (CID 137133303) is 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol is OCc1ccc2oc(-c3ccc(O)cc3)nc2c1.
What is the InChIKey of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol?
The InChIKey is CSCMODQTLPIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-8-9-1-6-13-12(7-9)15-14(18-13)10-2-4-11(17)5-3-10/h1-7,16-17H,8H2.
What are the key properties of 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol?
4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol has a molecular weight of 241.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 137133303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).