1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene

C25H26 — CID 142424624

IUPAC1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene
SMILESCC/C(=C(/C)c1ccc(-c2ccccc2)cc1)C(C)c1ccccc1
InChIInChI=1S/C25H26/c1-4-25(19(2)21-11-7-5-8-12-21)20(3)22-15-17-24(18-16-22)23-13-9-6-10-14-23/h5-19H,4H2,1-3H3/b25-20+
InChIKeyVITKQRMCCMUMGZ-LKUDQCMESA-N
MW326.48 g/mol
LogP7.34
Rot. Bonds5

About 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene

1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene (PubChem CID 142424624) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene
PubChem CID142424624
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene
SMILESCC/C(=C(/C)c1ccc(-c2ccccc2)cc1)C(C)c1ccccc1
InChIInChI=1S/C25H26/c1-4-25(19(2)21-11-7-5-8-12-21)20(3)22-15-17-24(18-16-22)23-13-9-6-10-14-23/h5-19H,4H2,1-3H3/b25-20+
InChIKeyVITKQRMCCMUMGZ-LKUDQCMESA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-phenylphenyl)butan-2-one
CID 66468835
(Z)-2-cyano-3-ethyl-4-phenylpent-2-enoic acid
CID 70301287
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
CID 102983372
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075
[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium
CID 123972442
(2S)-3-phenylpentan-2-ol
CID 45048673
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
1-chloro-3-(4-phenylphenyl)butan-2-one
CID 15676008
butan-2-one;propan-2-ol;propan-2-one;toluene
CID 159618290
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
1,1'-biphenyl;methanol;propane
CID 91033003

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene?
The IUPAC name of 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene (CID 142424624) is 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene.
What is the SMILES notation for 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene?
The canonical SMILES for 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene is CC/C(=C(/C)c1ccc(-c2ccccc2)cc1)C(C)c1ccccc1.
What is the InChIKey of 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene?
The InChIKey is VITKQRMCCMUMGZ-LKUDQCMESA-N. The full InChI is InChI=1S/C25H26/c1-4-25(19(2)21-11-7-5-8-12-21)20(3)22-15-17-24(18-16-22)23-13-9-6-10-14-23/h5-19H,4H2,1-3H3/b25-20+.
What are the key properties of 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene?
1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene has a molecular weight of 326.48 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene is sourced from PubChem (CID 142424624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).