2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene

C13H16Cl2 — CID 106870839

IUPAC2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene
SMILESC/C(=C/CCCl)Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H16Cl2/c1-10(4-3-7-14)8-12-6-5-11(2)9-13(12)15/h4-6,9H,3,7-8H2,1-2H3/b10-4-
InChIKeyJZDPLHBHBYHWDH-WMZJFQQLSA-N
MW243.18 g/mol
LogP4.77
Rot. Bonds4

About 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene

2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene (PubChem CID 106870839) has the molecular formula C13H16Cl2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene
PubChem CID106870839
Molecular FormulaC13H16Cl2
Molecular Weight243.18 g/mol
Exact Mass242.06
IUPAC Name2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene
SMILESC/C(=C/CCCl)Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H16Cl2/c1-10(4-3-7-14)8-12-6-5-11(2)9-13(12)15/h4-6,9H,3,7-8H2,1-2H3/b10-4-
InChIKeyJZDPLHBHBYHWDH-WMZJFQQLSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(3-chloropropyl)-4-methylbenzene
CID 106869679
2-(2-chloro-4-methylphenyl)ethanethioamide
CID 106863362
1-(2-chloro-4-methylphenyl)-3-methylbut-3-en-2-one
CID 106867179
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
CID 79603113
1-chloro-3-(2-chloro-4-methylphenyl)-1,1-difluoropropan-2-one
CID 106867096
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
(2-chloro-4-methylphenyl)methanesulfinic acid
CID 174497661
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene?
The IUPAC name of 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene (CID 106870839) is 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene?
The canonical SMILES for 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene is C/C(=C/CCCl)Cc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene?
The InChIKey is JZDPLHBHBYHWDH-WMZJFQQLSA-N. The full InChI is InChI=1S/C13H16Cl2/c1-10(4-3-7-14)8-12-6-5-11(2)9-13(12)15/h4-6,9H,3,7-8H2,1-2H3/b10-4-.
What are the key properties of 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene?
2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene has a molecular weight of 243.18 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene is sourced from PubChem (CID 106870839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).