1-butyl-2-chloro-3-ethenylbenzene

C12H15Cl — CID 174299293

IUPAC1-butyl-2-chloro-3-ethenylbenzene
SMILESC=Cc1cccc(CCCC)c1Cl
InChIInChI=1S/C12H15Cl/c1-3-5-7-11-9-6-8-10(4-2)12(11)13/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyCZPPTCTVFDVOJQ-UHFFFAOYSA-N
MW194.70 g/mol
LogP4.33
Rot. Bonds4

About 1-butyl-2-chloro-3-ethenylbenzene

1-butyl-2-chloro-3-ethenylbenzene (PubChem CID 174299293) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-butyl-2-chloro-3-ethenylbenzene.

Molecular Properties

Compound Name1-butyl-2-chloro-3-ethenylbenzene
PubChem CID174299293
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name1-butyl-2-chloro-3-ethenylbenzene
SMILESC=Cc1cccc(CCCC)c1Cl
InChIInChI=1S/C12H15Cl/c1-3-5-7-11-9-6-8-10(4-2)12(11)13/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyCZPPTCTVFDVOJQ-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-chloro-3-ethylbenzene
CID 139904751
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-ethenyl-2-pentylbenzene
CID 22171756
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
3-butyl-2-ethenylphenol
CID 23312031
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-chloro-2-ethenylbenzene;pentane
CID 174548012
1,3-didecyl-2-ethenylbenzene
CID 10572118
1-bromo-2-butyl-3-ethenylbenzene
CID 68743980

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-chloro-3-ethenylbenzene?
The IUPAC name of 1-butyl-2-chloro-3-ethenylbenzene (CID 174299293) is 1-butyl-2-chloro-3-ethenylbenzene.
What is the SMILES notation for 1-butyl-2-chloro-3-ethenylbenzene?
The canonical SMILES for 1-butyl-2-chloro-3-ethenylbenzene is C=Cc1cccc(CCCC)c1Cl.
What is the InChIKey of 1-butyl-2-chloro-3-ethenylbenzene?
The InChIKey is CZPPTCTVFDVOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-3-5-7-11-9-6-8-10(4-2)12(11)13/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of 1-butyl-2-chloro-3-ethenylbenzene?
1-butyl-2-chloro-3-ethenylbenzene has a molecular weight of 194.70 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-chloro-3-ethenylbenzene is sourced from PubChem (CID 174299293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).