2-phenylethylbenzene

C14H14 — CID 7647

IUPAC2-phenylethylbenzene
SMILESc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyQWUWMCYKGHVNAV-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.47
Rot. Bonds3

About 2-phenylethylbenzene

2-phenylethylbenzene (PubChem CID 7647) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-phenylethylbenzene.

Molecular Properties

Compound Name2-phenylethylbenzene
PubChem CID7647
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2-phenylethylbenzene
SMILESc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyQWUWMCYKGHVNAV-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Toluene
CID 1140
Fluorene
CID 6853
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylbenzene?
The IUPAC name of 2-phenylethylbenzene (CID 7647) is 2-phenylethylbenzene.
What is the SMILES notation for 2-phenylethylbenzene?
The canonical SMILES for 2-phenylethylbenzene is c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethylbenzene?
The InChIKey is QWUWMCYKGHVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-phenylethylbenzene?
2-phenylethylbenzene has a molecular weight of 182.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylbenzene is sourced from PubChem (CID 7647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).