1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene

C20H20 — CID 19781306

IUPAC1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene
SMILESC=CCCCc1ccc(-c2ccc(C#CC)cc2)cc1
InChIInChI=1S/C20H20/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3,9-16H,1,5-6,8H2,2H3
InChIKeyPQPZJCKSIAMKPF-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.23
Rot. Bonds5

About 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene

1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene (PubChem CID 19781306) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene.

Molecular Properties

Compound Name1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene
PubChem CID19781306
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene
SMILESC=CCCCc1ccc(-c2ccc(C#CC)cc2)cc1
InChIInChI=1S/C20H20/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3,9-16H,1,5-6,8H2,2H3
InChIKeyPQPZJCKSIAMKPF-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
1-chloro-4-[2-(4-pent-4-enylphenyl)ethynyl]benzene
CID 139750869
1-but-3-enyl-4-[2-(4-hept-4-enylphenyl)ethynyl]benzene
CID 139754665
1,2,3-trifluoro-5-[2-(4-pent-4-enylphenyl)ethynyl]benzene
CID 139750868
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-ethoxy-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139767171
4-hex-5-enylbenzonitrile
CID 582246
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1,3-difluoro-5-[2-(4-hex-5-enylphenyl)ethynyl]-2-(3,4,5-trifluorophenyl)benzene
CID 139799022
1-but-3-enyl-4-[2-(3-butylphenyl)ethynyl]benzene
CID 174432880
4-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-1,2-difluorobenzene
CID 139799047
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene?
The IUPAC name of 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene (CID 19781306) is 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene.
What is the SMILES notation for 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene?
The canonical SMILES for 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene is C=CCCCc1ccc(-c2ccc(C#CC)cc2)cc1.
What is the InChIKey of 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene?
The InChIKey is PQPZJCKSIAMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3,9-16H,1,5-6,8H2,2H3.
What are the key properties of 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene?
1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene has a molecular weight of 260.38 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene is sourced from PubChem (CID 19781306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).