1-phenylethenylbenzene

C14H12 — CID 10740

IUPAC1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyZMYIIHDQURVDRB-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.75
Rot. Bonds2

About 1-phenylethenylbenzene

1-phenylethenylbenzene (PubChem CID 10740) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-phenylethenylbenzene.

Molecular Properties

Compound Name1-phenylethenylbenzene
PubChem CID10740
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKeyZMYIIHDQURVDRB-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethenylbenzene?
The IUPAC name of 1-phenylethenylbenzene (CID 10740) is 1-phenylethenylbenzene.
What is the SMILES notation for 1-phenylethenylbenzene?
The canonical SMILES for 1-phenylethenylbenzene is C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethenylbenzene?
The InChIKey is ZMYIIHDQURVDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2.
What are the key properties of 1-phenylethenylbenzene?
1-phenylethenylbenzene has a molecular weight of 180.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenylbenzene is sourced from PubChem (CID 10740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).