1-phenylethylbenzene

C14H14 — CID 11918

IUPAC1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyBSZXAFXFTLXUFV-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.84
Rot. Bonds2

About 1-phenylethylbenzene

1-phenylethylbenzene (PubChem CID 11918) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-phenylethylbenzene.

Molecular Properties

Compound Name1-phenylethylbenzene
PubChem CID11918
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyBSZXAFXFTLXUFV-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenylethylbenzene
CID 142851428
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 11918) is 1-phenylethylbenzene.
What is the SMILES notation for 1-phenylethylbenzene?
The canonical SMILES for 1-phenylethylbenzene is CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethylbenzene?
The InChIKey is BSZXAFXFTLXUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 1-phenylethylbenzene?
1-phenylethylbenzene has a molecular weight of 182.27 g/mol, XLogP of 3.84, 2 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 11918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).