(3-methyl-6-phenylhex-3-enyl)benzene

C19H22 — CID 175487597

IUPAC(3-methyl-6-phenylhex-3-enyl)benzene
SMILESCC(=CCCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H22/c1-17(15-16-19-12-6-3-7-13-19)9-8-14-18-10-4-2-5-11-18/h2-7,9-13H,8,14-16H2,1H3
InChIKeyVXFVWAYTCJDPRP-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.20
Rot. Bonds6

About (3-methyl-6-phenylhex-3-enyl)benzene

(3-methyl-6-phenylhex-3-enyl)benzene (PubChem CID 175487597) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is (3-methyl-6-phenylhex-3-enyl)benzene.

Molecular Properties

Compound Name(3-methyl-6-phenylhex-3-enyl)benzene
PubChem CID175487597
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name(3-methyl-6-phenylhex-3-enyl)benzene
SMILESCC(=CCCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H22/c1-17(15-16-19-12-6-3-7-13-19)9-8-14-18-10-4-2-5-11-18/h2-7,9-13H,8,14-16H2,1H3
InChIKeyVXFVWAYTCJDPRP-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-phenylhept-4-en-1-ol
CID 71353866
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
4-chloropent-3-enylbenzene
CID 71383765
[(Z)-3-methyl-5-phenylpent-2-enyl]-diphenylphosphane
CID 101261387
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
2-methyl-2-[(E)-2-methyl-5-phenylpent-2-enyl]propanedinitrile
CID 10933563
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532
(2E)-5-methyl-7-phenylhepta-2,4-dienal
CID 158943727
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
CID 15380841

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-phenylhex-3-enyl)benzene?
The IUPAC name of (3-methyl-6-phenylhex-3-enyl)benzene (CID 175487597) is (3-methyl-6-phenylhex-3-enyl)benzene.
What is the SMILES notation for (3-methyl-6-phenylhex-3-enyl)benzene?
The canonical SMILES for (3-methyl-6-phenylhex-3-enyl)benzene is CC(=CCCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (3-methyl-6-phenylhex-3-enyl)benzene?
The InChIKey is VXFVWAYTCJDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-17(15-16-19-12-6-3-7-13-19)9-8-14-18-10-4-2-5-11-18/h2-7,9-13H,8,14-16H2,1H3.
What are the key properties of (3-methyl-6-phenylhex-3-enyl)benzene?
(3-methyl-6-phenylhex-3-enyl)benzene has a molecular weight of 250.39 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-phenylhex-3-enyl)benzene is sourced from PubChem (CID 175487597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).