4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol

C19H17NO2 — CID 155528105

IUPAC4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)c3oncc3c2)c1
InChIInChI=1S/C19H17NO2/c1-3-5-13-7-8-18(21)17(9-13)15-10-14(6-4-2)19-16(11-15)12-20-22-19/h3-4,7-12,21H,1-2,5-6H2
InChIKeyKCXBXAVBGVFVLU-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.66
Rot. Bonds5

About 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol

4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol (PubChem CID 155528105) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol.

Molecular Properties

Compound Name4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
PubChem CID155528105
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)c3oncc3c2)c1
InChIInChI=1S/C19H17NO2/c1-3-5-13-7-8-18(21)17(9-13)15-10-14(6-4-2)19-16(11-15)12-20-22-19/h3-4,7-12,21H,1-2,5-6H2
InChIKeyKCXBXAVBGVFVLU-UHFFFAOYSA-N
XLogP4.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?
The IUPAC name of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol (CID 155528105) is 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol.
What is the SMILES notation for 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?
The canonical SMILES for 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol is C=CCc1ccc(O)c(-c2cc(CC=C)c3oncc3c2)c1.
What is the InChIKey of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?
The InChIKey is KCXBXAVBGVFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-5-13-7-8-18(21)17(9-13)15-10-14(6-4-2)19-16(11-15)12-20-22-19/h3-4,7-12,21H,1-2,5-6H2.
What are the key properties of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?
4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol has a molecular weight of 291.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol is sourced from PubChem (CID 155528105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).