1-phenylhepta-3,4-dien-3-ylbenzene

C19H20 — CID 71329776

IUPAC1-phenylhepta-3,4-dien-3-ylbenzene
SMILESCCC=C=C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20/c1-2-3-12-19(18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h3-11,13-14H,2,15-16H2,1H3
InChIKeyRIOPWEPKDPUJRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.27
Rot. Bonds5

About 1-phenylhepta-3,4-dien-3-ylbenzene

1-phenylhepta-3,4-dien-3-ylbenzene (PubChem CID 71329776) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-phenylhepta-3,4-dien-3-ylbenzene.

Molecular Properties

Compound Name1-phenylhepta-3,4-dien-3-ylbenzene
PubChem CID71329776
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-phenylhepta-3,4-dien-3-ylbenzene
SMILESCCC=C=C(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20/c1-2-3-12-19(18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h3-11,13-14H,2,15-16H2,1H3
InChIKeyRIOPWEPKDPUJRH-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-diphenylpenta-1,2-dien-3-ylbenzene
CID 134978580
(3-ethyl-5-phenylpenta-1,2-dienyl)-trimethylsilane
CID 51349622
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
N-ethyl-6-phenylhexanamide
CID 70953257
hexylbenzene;hydrogen peroxide
CID 90001206
5-fluorohexa-3,4-dienylbenzene
CID 162374144
ethyl 3-phenylpropanoate;propanal
CID 90891703
(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene
CID 71375479
[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
CID 134937265
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 1-phenylhepta-3,4-dien-3-ylbenzene?
The IUPAC name of 1-phenylhepta-3,4-dien-3-ylbenzene (CID 71329776) is 1-phenylhepta-3,4-dien-3-ylbenzene.
What is the SMILES notation for 1-phenylhepta-3,4-dien-3-ylbenzene?
The canonical SMILES for 1-phenylhepta-3,4-dien-3-ylbenzene is CCC=C=C(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylhepta-3,4-dien-3-ylbenzene?
The InChIKey is RIOPWEPKDPUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-2-3-12-19(18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h3-11,13-14H,2,15-16H2,1H3.
What are the key properties of 1-phenylhepta-3,4-dien-3-ylbenzene?
1-phenylhepta-3,4-dien-3-ylbenzene has a molecular weight of 248.37 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylhepta-3,4-dien-3-ylbenzene is sourced from PubChem (CID 71329776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).