1-phenylethylbenzene

C28H28 — CID 142851428

IUPAC1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H14/c2*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2*2-12H,1H3
InChIKeyFHEINTVNCVNZIC-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.68
Rot. Bonds4

About 1-phenylethylbenzene

1-phenylethylbenzene (PubChem CID 142851428) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-phenylethylbenzene.

Molecular Properties

Compound Name1-phenylethylbenzene
PubChem CID142851428
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H14/c2*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2*2-12H,1H3
InChIKeyFHEINTVNCVNZIC-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
ethane;methane;1-phenylethylbenzene
CID 143105414
cumene;ethane;1-phenylethylbenzene
CID 158118082
ethanamine;1-phenylethylbenzene
CID 19985218
isocyanic acid;1-phenylethylbenzene
CID 172750897
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891
ethene;1-fluoro-4-(1-phenylethyl)benzene
CID 144850475
N-phenyl-4-(1-phenylethyl)aniline
CID 3017553
cumene
CID 161227923

Frequently Asked Questions

What is the IUPAC name of 1-phenylethylbenzene?
The IUPAC name of 1-phenylethylbenzene (CID 142851428) is 1-phenylethylbenzene.
What is the SMILES notation for 1-phenylethylbenzene?
The canonical SMILES for 1-phenylethylbenzene is CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethylbenzene?
The InChIKey is FHEINTVNCVNZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14/c2*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2*2-12H,1H3.
What are the key properties of 1-phenylethylbenzene?
1-phenylethylbenzene has a molecular weight of 364.53 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethylbenzene is sourced from PubChem (CID 142851428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).