4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene

C15H19Cl — CID 135202683

IUPAC4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(Cl)ccc1/C=C\C(C)CC
InChIInChI=1S/C15H19Cl/c1-5-12(4)6-7-13-8-9-14(16)10-15(13)11(2)3/h6-10,12H,2,5H2,1,3-4H3/b7-6-
InChIKeyCMXOFFXXADCKQC-SREVYHEPSA-N
MW234.77 g/mol
LogP5.43
Rot. Bonds4

About 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene

4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene (PubChem CID 135202683) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene
PubChem CID135202683
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(Cl)ccc1/C=C\C(C)CC
InChIInChI=1S/C15H19Cl/c1-5-12(4)6-7-13-8-9-14(16)10-15(13)11(2)3/h6-10,12H,2,5H2,1,3-4H3/b7-6-
InChIKeyCMXOFFXXADCKQC-SREVYHEPSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.77
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
2-ethenyl-4-methyl-1-(3-methylpent-1-enyl)benzene
CID 123226279
(3E)-4-(5-chloro-2-methylphenyl)-N-ethyl-3-methylpenta-1,3-dien-2-amine
CID 146181562
3-(4-chloro-2-prop-1-en-2-ylphenyl)-2-methyl-N-[(Z)-prop-1-enyl]propan-1-amine
CID 143001724
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
N-(5-chloro-2-prop-1-en-2-ylphenyl)methanimine
CID 142037195
(E)-4-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-2-amine
CID 103091665
1-(2,5-dichlorophenyl)-3-methylpentan-1-one
CID 114874019
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene?
The IUPAC name of 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene (CID 135202683) is 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene is C=C(C)c1cc(Cl)ccc1/C=C\C(C)CC.
What is the InChIKey of 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene?
The InChIKey is CMXOFFXXADCKQC-SREVYHEPSA-N. The full InChI is InChI=1S/C15H19Cl/c1-5-12(4)6-7-13-8-9-14(16)10-15(13)11(2)3/h6-10,12H,2,5H2,1,3-4H3/b7-6-.
What are the key properties of 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene?
4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene has a molecular weight of 234.77 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(Z)-3-methylpent-1-enyl]-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 135202683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).