1-(1,1-dichloroprop-2-enyl)-2-methylbenzene

C10H10Cl2 — CID 596709

IUPAC1-(1,1-dichloroprop-2-enyl)-2-methylbenzene
SMILESC=CC(Cl)(Cl)c1ccccc1C
InChIInChI=1S/C10H10Cl2/c1-3-10(11,12)9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InChIKeySPBKMHSOKAURDH-UHFFFAOYSA-N
MW201.10 g/mol
LogP3.81
Rot. Bonds2

About 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene

1-(1,1-dichloroprop-2-enyl)-2-methylbenzene (PubChem CID 596709) has the molecular formula C10H10Cl2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(1,1-dichloroprop-2-enyl)-2-methylbenzene
PubChem CID596709
Molecular FormulaC10H10Cl2
Molecular Weight201.10 g/mol
Exact Mass200.02
IUPAC Name1-(1,1-dichloroprop-2-enyl)-2-methylbenzene
SMILESC=CC(Cl)(Cl)c1ccccc1C
InChIInChI=1S/C10H10Cl2/c1-3-10(11,12)9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InChIKeySPBKMHSOKAURDH-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 53.81
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

1,1-dichloroprop-2-enylbenzene
CID 23350286
2,2-dichloro-2-(2-methylphenyl)acetonitrile
CID 12808239
1-(1,1-dichloroprop-2-enyl)-3-methylbenzene
CID 582368
1-chloro-2-methylbenzene;ethene
CID 142088810
1,1,1,2-tetrachloroethane;1,2-xylene
CID 70567653
acetylene;1,2-xylene
CID 175515922
(2S)-2-(2-chlorophenyl)but-3-en-2-ol
CID 46918958
1,2-xylene
CID 173422016
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol
CID 154196116
1-methyl-2-[2-[2-(2-methylphenyl)pent-3-en-2-yloxy]pent-3-en-2-yl]benzene
CID 70422916

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene?
The IUPAC name of 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene (CID 596709) is 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene.
What is the SMILES notation for 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene?
The canonical SMILES for 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene is C=CC(Cl)(Cl)c1ccccc1C.
What is the InChIKey of 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene?
The InChIKey is SPBKMHSOKAURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2/c1-3-10(11,12)9-7-5-4-6-8(9)2/h3-7H,1H2,2H3.
What are the key properties of 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene?
1-(1,1-dichloroprop-2-enyl)-2-methylbenzene has a molecular weight of 201.10 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dichloroprop-2-enyl)-2-methylbenzene is sourced from PubChem (CID 596709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).