1-hex-5-enyl-4-(4-methylphenyl)benzene

C19H22 — CID 59812350

IUPAC1-hex-5-enyl-4-(4-methylphenyl)benzene
SMILESC=CCCCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22/c1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18/h3,8-15H,1,4-7H2,2H3
InChIKeyBWMLKXBUHPVCPX-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.56
Rot. Bonds6

About 1-hex-5-enyl-4-(4-methylphenyl)benzene

1-hex-5-enyl-4-(4-methylphenyl)benzene (PubChem CID 59812350) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-hex-5-enyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-hex-5-enyl-4-(4-methylphenyl)benzene
PubChem CID59812350
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-hex-5-enyl-4-(4-methylphenyl)benzene
SMILESC=CCCCCc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22/c1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18/h3,8-15H,1,4-7H2,2H3
InChIKeyBWMLKXBUHPVCPX-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.56
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'}

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Related Compounds

1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
CID 139780637
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-fluoro-4-non-8-enylbenzene
CID 57222789
4-tetradec-13-enylphenol
CID 157380665
hept-6-enylbenzene
CID 15608161
1-ethylsulfanyl-4-hex-5-enylbenzene
CID 143817535
4-hex-5-enylbenzonitrile
CID 582246
1-pent-4-enyl-4-(4-prop-1-ynylphenyl)benzene
CID 19781306

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enyl-4-(4-methylphenyl)benzene?
The IUPAC name of 1-hex-5-enyl-4-(4-methylphenyl)benzene (CID 59812350) is 1-hex-5-enyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-hex-5-enyl-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-hex-5-enyl-4-(4-methylphenyl)benzene is C=CCCCCc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-hex-5-enyl-4-(4-methylphenyl)benzene?
The InChIKey is BWMLKXBUHPVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18/h3,8-15H,1,4-7H2,2H3.
What are the key properties of 1-hex-5-enyl-4-(4-methylphenyl)benzene?
1-hex-5-enyl-4-(4-methylphenyl)benzene has a molecular weight of 250.38 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 59812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).