4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol

C20H18O — CID 164682402

IUPAC4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(/C=C/CC#Cc2ccccc2)ccc1O
InChIInChI=1S/C20H18O/c1-2-9-19-16-18(14-15-20(19)21)13-8-4-7-12-17-10-5-3-6-11-17/h2-3,5-6,8,10-11,13-16,21H,1,4,9H2/b13-8+
InChIKeyCRSOJHSNYVWDKD-MDWZMJQESA-N
MW274.36 g/mol
LogP4.58
Rot. Bonds4

About 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol

4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol (PubChem CID 164682402) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol
PubChem CID164682402
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(/C=C/CC#Cc2ccccc2)ccc1O
InChIInChI=1S/C20H18O/c1-2-9-19-16-18(14-15-20(19)21)13-8-4-7-12-17-10-5-3-6-11-17/h2-3,5-6,8,10-11,13-16,21H,1,4,9H2/b13-8+
InChIKeyCRSOJHSNYVWDKD-MDWZMJQESA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol?
The IUPAC name of 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol (CID 164682402) is 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol is C=CCc1cc(/C=C/CC#Cc2ccccc2)ccc1O.
What is the InChIKey of 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol?
The InChIKey is CRSOJHSNYVWDKD-MDWZMJQESA-N. The full InChI is InChI=1S/C20H18O/c1-2-9-19-16-18(14-15-20(19)21)13-8-4-7-12-17-10-5-3-6-11-17/h2-3,5-6,8,10-11,13-16,21H,1,4,9H2/b13-8+.
What are the key properties of 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol?
4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol has a molecular weight of 274.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol is sourced from PubChem (CID 164682402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).