1-prop-1-en-2-yl-3-propylbenzene

C12H16 — CID 22486655

IUPAC1-prop-1-en-2-yl-3-propylbenzene
SMILESC=C(C)c1cccc(CCC)c1
InChIInChI=1S/C12H16/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-9H,2,4,6H2,1,3H3
InChIKeyWTYKUBXKPCRTMB-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.67
Rot. Bonds3

About 1-prop-1-en-2-yl-3-propylbenzene

1-prop-1-en-2-yl-3-propylbenzene (PubChem CID 22486655) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3-propylbenzene.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3-propylbenzene
PubChem CID22486655
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-prop-1-en-2-yl-3-propylbenzene
SMILESC=C(C)c1cccc(CCC)c1
InChIInChI=1S/C12H16/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-9H,2,4,6H2,1,3H3
InChIKeyWTYKUBXKPCRTMB-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1-buta-1,3-dien-2-yl-3-propylbenzene
CID 140596687
(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
CID 144542813
1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine
CID 22250733
3-prop-1-en-2-yl-4-[(E)-2-(3-propylphenyl)prop-1-enyl]aniline
CID 138613131
1-(3-isocyanatopropyl)-3-prop-1-en-2-ylbenzene
CID 87893878
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
(E)-3-(3-prop-1-en-2-ylphenyl)prop-1-en-1-amine
CID 134297759
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3-propylbenzene?
The IUPAC name of 1-prop-1-en-2-yl-3-propylbenzene (CID 22486655) is 1-prop-1-en-2-yl-3-propylbenzene.
What is the SMILES notation for 1-prop-1-en-2-yl-3-propylbenzene?
The canonical SMILES for 1-prop-1-en-2-yl-3-propylbenzene is C=C(C)c1cccc(CCC)c1.
What is the InChIKey of 1-prop-1-en-2-yl-3-propylbenzene?
The InChIKey is WTYKUBXKPCRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-6-11-7-5-8-12(9-11)10(2)3/h5,7-9H,2,4,6H2,1,3H3.
What are the key properties of 1-prop-1-en-2-yl-3-propylbenzene?
1-prop-1-en-2-yl-3-propylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3-propylbenzene is sourced from PubChem (CID 22486655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).