ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene

C20H24 — CID 143592596

IUPACethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
SMILESC=C(/C(=C\C)c1ccccc1)c1ccccc1C.CC
InChIInChI=1S/C18H18.C2H6/c1-4-17(16-11-6-5-7-12-16)15(3)18-13-9-8-10-14(18)2;1-2/h4-13H,3H2,1-2H3;1-2H3/b17-4+;
InChIKeyLHVWYBUTYUPNBE-DBYAPITPSA-N
MW264.41 g/mol
LogP6.14
Rot. Bonds3

About ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene

ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene (PubChem CID 143592596) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
PubChem CID143592596
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Nameethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
SMILESC=C(/C(=C\C)c1ccccc1)c1ccccc1C.CC
InChIInChI=1S/C18H18.C2H6/c1-4-17(16-11-6-5-7-12-16)15(3)18-13-9-8-10-14(18)2;1-2/h4-13H,3H2,1-2H3;1-2H3/b17-4+;
InChIKeyLHVWYBUTYUPNBE-DBYAPITPSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
CID 125477418
(E)-3-(2-methylphenyl)-2-oxopent-3-enoic acid
CID 143135216
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
2-(2-methylphenyl)prop-2-enamide
CID 23202678
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301
1-methyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 11171770
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene?
The IUPAC name of ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene (CID 143592596) is ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene.
What is the SMILES notation for ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene?
The canonical SMILES for ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene is C=C(/C(=C\C)c1ccccc1)c1ccccc1C.CC.
What is the InChIKey of ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene?
The InChIKey is LHVWYBUTYUPNBE-DBYAPITPSA-N. The full InChI is InChI=1S/C18H18.C2H6/c1-4-17(16-11-6-5-7-12-16)15(3)18-13-9-8-10-14(18)2;1-2/h4-13H,3H2,1-2H3;1-2H3/b17-4+;.
What are the key properties of ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene?
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene has a molecular weight of 264.41 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 143592596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).