(3-chloro-2-methylprop-2-enyl)benzene

C10H11Cl — CID 71327936

IUPAC(3-chloro-2-methylprop-2-enyl)benzene
SMILESCC(=CCl)Cc1ccccc1
InChIInChI=1S/C10H11Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyTZQIQRXRRWJJQT-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.37
Rot. Bonds2

About (3-chloro-2-methylprop-2-enyl)benzene

(3-chloro-2-methylprop-2-enyl)benzene (PubChem CID 71327936) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is (3-chloro-2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Name(3-chloro-2-methylprop-2-enyl)benzene
PubChem CID71327936
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name(3-chloro-2-methylprop-2-enyl)benzene
SMILESCC(=CCl)Cc1ccccc1
InChIInChI=1S/C10H11Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyTZQIQRXRRWJJQT-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
3-methyl-4-phenylbut-2-enoic acid
CID 22414
2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
CID 139716898
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
CID 163985565
1-phenylpropane-2-thione
CID 19915653
(E)-1-phenylbut-2-en-2-ol
CID 170790149
benzene;1-phenylpropan-2-one
CID 21430852

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylprop-2-enyl)benzene?
The IUPAC name of (3-chloro-2-methylprop-2-enyl)benzene (CID 71327936) is (3-chloro-2-methylprop-2-enyl)benzene.
What is the SMILES notation for (3-chloro-2-methylprop-2-enyl)benzene?
The canonical SMILES for (3-chloro-2-methylprop-2-enyl)benzene is CC(=CCl)Cc1ccccc1.
What is the InChIKey of (3-chloro-2-methylprop-2-enyl)benzene?
The InChIKey is TZQIQRXRRWJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of (3-chloro-2-methylprop-2-enyl)benzene?
(3-chloro-2-methylprop-2-enyl)benzene has a molecular weight of 166.65 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylprop-2-enyl)benzene is sourced from PubChem (CID 71327936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).