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

C19H17NO3 — CID 135966047

IUPAC5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol
SMILESC=CCc1cc(-c2cc(CC=C)c3oncc3c2O)ccc1O
InChIInChI=1S/C19H17NO3/c1-3-5-13-9-12(7-8-17(13)21)15-10-14(6-4-2)19-16(18(15)22)11-20-23-19/h3-4,7-11,21-22H,1-2,5-6H2
InChIKeyNBECPUSATIXGLI-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.36
Rot. Bonds5

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

5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol (PubChem CID 135966047) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol
PubChem CID135966047
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol
SMILESC=CCc1cc(-c2cc(CC=C)c3oncc3c2O)ccc1O
InChIInChI=1S/C19H17NO3/c1-3-5-13-9-12(7-8-17(13)21)15-10-14(6-4-2)19-16(18(15)22)11-20-23-19/h3-4,7-11,21-22H,1-2,5-6H2
InChIKeyNBECPUSATIXGLI-UHFFFAOYSA-N
XLogP4.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.36
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 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol?
The IUPAC name of 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol (CID 135966047) is 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol.
What is the SMILES notation for 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol?
The canonical SMILES for 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol is C=CCc1cc(-c2cc(CC=C)c3oncc3c2O)ccc1O.
What is the InChIKey of 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol?
The InChIKey is NBECPUSATIXGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-5-13-9-12(7-8-17(13)21)15-10-14(6-4-2)19-16(18(15)22)11-20-23-19/h3-4,7-11,21-22H,1-2,5-6H2.
What are the key properties of 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol?
5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol has a molecular weight of 307.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol is sourced from PubChem (CID 135966047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).