1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene

C11H13Cl — CID 131387958

IUPAC1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
SMILESC/C(=C/c1ccccc1C)CCl
InChIInChI=1S/C11H13Cl/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-7H,8H2,1-2H3/b9-7-
InChIKeyQRVDJZQVPJWBHP-CLFYSBASSA-N
MW180.68 g/mol
LogP3.64
Rot. Bonds2

About 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene

1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene (PubChem CID 131387958) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
PubChem CID131387958
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
SMILESC/C(=C/c1ccccc1C)CCl
InChIInChI=1S/C11H13Cl/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-7H,8H2,1-2H3/b9-7-
InChIKeyQRVDJZQVPJWBHP-CLFYSBASSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
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(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
CID 59925983
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
(E)-1-methoxy-2-(2-methylphenyl)ethenol
CID 135049956
4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
CID 79324274
1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone
CID 144776022
(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid
CID 88641659
2-[3-chloro-1-(2-methylphenyl)prop-1-en-2-yl]-1,4-difluorobenzene
CID 68782958
(2Z)-3,3-dimethyl-2-[(2-methylphenyl)methylidene]butan-1-ol
CID 115023712
1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene
CID 123138656

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene?
The IUPAC name of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene (CID 131387958) is 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene.
What is the SMILES notation for 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene?
The canonical SMILES for 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene is C/C(=C/c1ccccc1C)CCl.
What is the InChIKey of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene?
The InChIKey is QRVDJZQVPJWBHP-CLFYSBASSA-N. The full InChI is InChI=1S/C11H13Cl/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-7H,8H2,1-2H3/b9-7-.
What are the key properties of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene?
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene is sourced from PubChem (CID 131387958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).