1-ethenyl-3-(3-propylphenyl)benzene

C17H18 — CID 90994074

IUPAC1-ethenyl-3-(3-propylphenyl)benzene
SMILESC=Cc1cccc(-c2cccc(CCC)c2)c1
InChIInChI=1S/C17H18/c1-3-7-15-9-6-11-17(13-15)16-10-5-8-14(4-2)12-16/h4-6,8-13H,2-3,7H2,1H3
InChIKeySDGANHWFDVHVIS-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.95
Rot. Bonds4

About 1-ethenyl-3-(3-propylphenyl)benzene

1-ethenyl-3-(3-propylphenyl)benzene (PubChem CID 90994074) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-ethenyl-3-(3-propylphenyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(3-propylphenyl)benzene
PubChem CID90994074
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-ethenyl-3-(3-propylphenyl)benzene
SMILESC=Cc1cccc(-c2cccc(CCC)c2)c1
InChIInChI=1S/C17H18/c1-3-7-15-9-6-11-17(13-15)16-10-5-8-14(4-2)12-16/h4-6,8-13H,2-3,7H2,1H3
InChIKeySDGANHWFDVHVIS-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-3-propylbenzene
CID 4110465
1-ethenyl-3-[4-(4-ethylphenyl)phenyl]benzene
CID 174010619
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
1-[(1E)-buta-1,3-dienyl]-3-propylbenzene
CID 173472577
1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
CID 160647587
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
3-(3-propylphenyl)pyridine
CID 69055272
1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
CID 135291635
2-(3-ethenylphenyl)-1,3-dimethylbenzene
CID 123205650

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(3-propylphenyl)benzene?
The IUPAC name of 1-ethenyl-3-(3-propylphenyl)benzene (CID 90994074) is 1-ethenyl-3-(3-propylphenyl)benzene.
What is the SMILES notation for 1-ethenyl-3-(3-propylphenyl)benzene?
The canonical SMILES for 1-ethenyl-3-(3-propylphenyl)benzene is C=Cc1cccc(-c2cccc(CCC)c2)c1.
What is the InChIKey of 1-ethenyl-3-(3-propylphenyl)benzene?
The InChIKey is SDGANHWFDVHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-3-7-15-9-6-11-17(13-15)16-10-5-8-14(4-2)12-16/h4-6,8-13H,2-3,7H2,1H3.
What are the key properties of 1-ethenyl-3-(3-propylphenyl)benzene?
1-ethenyl-3-(3-propylphenyl)benzene has a molecular weight of 222.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(3-propylphenyl)benzene is sourced from PubChem (CID 90994074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).