2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol

C16H13NO3 — CID 135458122

IUPAC2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol
SMILESC=CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H13NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h2,4-9,18-19H,1,3H2
InChIKeyXQORYXRHJJULMI-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol

2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol (PubChem CID 135458122) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol
PubChem CID135458122
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol
SMILESC=CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H13NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h2,4-9,18-19H,1,3H2
InChIKeyXQORYXRHJJULMI-UHFFFAOYSA-N
XLogP3.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol (CID 135458122) is 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol is C=CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol?
The InChIKey is XQORYXRHJJULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h2,4-9,18-19H,1,3H2.
What are the key properties of 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol?
2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol has a molecular weight of 267.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-prop-2-enyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135458122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).