1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene

C13H17Cl — CID 147586552

IUPAC1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
SMILESC/C(=C\Cl)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H17Cl/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-9H,1-4H3/b10-9+
InChIKeyFXLHVHIRZADDPX-MDZDMXLPSA-N
MW208.73 g/mol
LogP4.58
Rot. Bonds1

About 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene

1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene (PubChem CID 147586552) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
PubChem CID147586552
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
SMILESC/C(=C\Cl)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H17Cl/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-9H,1-4H3/b10-9+
InChIKeyFXLHVHIRZADDPX-MDZDMXLPSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(4-tert-butylphenyl)-3-chloroprop-2-en-1-one
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1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
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CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
1-(4-tert-butylphenyl)ethanimine
CID 20718021
1-tert-butyl-4-(1-diazoethyl)benzene
CID 102470296
CID 67550053
CID 67550053
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene (CID 147586552) is 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene is C/C(=C\Cl)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene?
The InChIKey is FXLHVHIRZADDPX-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H17Cl/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-9H,1-4H3/b10-9+.
What are the key properties of 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene?
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene has a molecular weight of 208.73 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene is sourced from PubChem (CID 147586552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).