1-ethyl-2-(2-phenylprop-2-enyl)benzene

C17H18 — CID 18968382

IUPAC1-ethyl-2-(2-phenylprop-2-enyl)benzene
SMILESC=C(Cc1ccccc1CC)c1ccccc1
InChIInChI=1S/C17H18/c1-3-15-9-7-8-12-17(15)13-14(2)16-10-5-4-6-11-16/h4-12H,2-3,13H2,1H3
InChIKeyLREUPKUPVLLZMF-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.50
Rot. Bonds4

About 1-ethyl-2-(2-phenylprop-2-enyl)benzene

1-ethyl-2-(2-phenylprop-2-enyl)benzene (PubChem CID 18968382) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-ethyl-2-(2-phenylprop-2-enyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-(2-phenylprop-2-enyl)benzene
PubChem CID18968382
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-ethyl-2-(2-phenylprop-2-enyl)benzene
SMILESC=C(Cc1ccccc1CC)c1ccccc1
InChIInChI=1S/C17H18/c1-3-15-9-7-8-12-17(15)13-14(2)16-10-5-4-6-11-16/h4-12H,2-3,13H2,1H3
InChIKeyLREUPKUPVLLZMF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 70384426
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
pent-1-en-2-ylbenzene
CID 521761
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
1,2-diethylbenzene;hydrobromide
CID 174973685
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599
2-phenylprop-2-en-1-amine;propane
CID 143101756
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1,2-diethylbenzene;silyloxysilane
CID 158803052
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-phenylprop-2-enyl)benzene?
The IUPAC name of 1-ethyl-2-(2-phenylprop-2-enyl)benzene (CID 18968382) is 1-ethyl-2-(2-phenylprop-2-enyl)benzene.
What is the SMILES notation for 1-ethyl-2-(2-phenylprop-2-enyl)benzene?
The canonical SMILES for 1-ethyl-2-(2-phenylprop-2-enyl)benzene is C=C(Cc1ccccc1CC)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-phenylprop-2-enyl)benzene?
The InChIKey is LREUPKUPVLLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-3-15-9-7-8-12-17(15)13-14(2)16-10-5-4-6-11-16/h4-12H,2-3,13H2,1H3.
What are the key properties of 1-ethyl-2-(2-phenylprop-2-enyl)benzene?
1-ethyl-2-(2-phenylprop-2-enyl)benzene has a molecular weight of 222.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-phenylprop-2-enyl)benzene is sourced from PubChem (CID 18968382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).