2-(4-prop-2-enylphenyl)pent-4-en-2-ol

C14H18O — CID 139253933

IUPAC2-(4-prop-2-enylphenyl)pent-4-en-2-ol
SMILESC=CCc1ccc(C(C)(O)CC=C)cc1
InChIInChI=1S/C14H18O/c1-4-6-12-7-9-13(10-8-12)14(3,15)11-5-2/h4-5,7-10,15H,1-2,6,11H2,3H3
InChIKeyWVGCFVYPCJJXRO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-prop-2-enylphenyl)pent-4-en-2-ol

2-(4-prop-2-enylphenyl)pent-4-en-2-ol (PubChem CID 139253933) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(4-prop-2-enylphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-prop-2-enylphenyl)pent-4-en-2-ol
PubChem CID139253933
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(4-prop-2-enylphenyl)pent-4-en-2-ol
SMILESC=CCc1ccc(C(C)(O)CC=C)cc1
InChIInChI=1S/C14H18O/c1-4-6-12-7-9-13(10-8-12)14(3,15)11-5-2/h4-5,7-10,15H,1-2,6,11H2,3H3
InChIKeyWVGCFVYPCJJXRO-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-prop-2-enylphenyl)pent-4-en-2-ol?
The IUPAC name of 2-(4-prop-2-enylphenyl)pent-4-en-2-ol (CID 139253933) is 2-(4-prop-2-enylphenyl)pent-4-en-2-ol.
What is the SMILES notation for 2-(4-prop-2-enylphenyl)pent-4-en-2-ol?
The canonical SMILES for 2-(4-prop-2-enylphenyl)pent-4-en-2-ol is C=CCc1ccc(C(C)(O)CC=C)cc1.
What is the InChIKey of 2-(4-prop-2-enylphenyl)pent-4-en-2-ol?
The InChIKey is WVGCFVYPCJJXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-6-12-7-9-13(10-8-12)14(3,15)11-5-2/h4-5,7-10,15H,1-2,6,11H2,3H3.
What are the key properties of 2-(4-prop-2-enylphenyl)pent-4-en-2-ol?
2-(4-prop-2-enylphenyl)pent-4-en-2-ol has a molecular weight of 202.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enylphenyl)pent-4-en-2-ol is sourced from PubChem (CID 139253933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).