1-(1,1-dichloroprop-2-enyl)-3-methylbenzene

C10H10Cl2 — CID 582368

IUPAC1-(1,1-dichloroprop-2-enyl)-3-methylbenzene
SMILESC=CC(Cl)(Cl)c1cccc(C)c1
InChIInChI=1S/C10H10Cl2/c1-3-10(11,12)9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKeyAMQWGXVNCRZSQL-UHFFFAOYSA-N
MW201.10 g/mol
LogP3.81
Rot. Bonds2

About 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene

1-(1,1-dichloroprop-2-enyl)-3-methylbenzene (PubChem CID 582368) has the molecular formula C10H10Cl2 and a molecular weight of 201.10 g/mol. Its IUPAC name is 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(1,1-dichloroprop-2-enyl)-3-methylbenzene
PubChem CID582368
Molecular FormulaC10H10Cl2
Molecular Weight201.10 g/mol
Exact Mass200.02
IUPAC Name1-(1,1-dichloroprop-2-enyl)-3-methylbenzene
SMILESC=CC(Cl)(Cl)c1cccc(C)c1
InChIInChI=1S/C10H10Cl2/c1-3-10(11,12)9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKeyAMQWGXVNCRZSQL-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-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
1,1-dichloroprop-2-enylbenzene
CID 23350286
2-methyl-2-(3-methylphenyl)but-3-enoic acid
CID 135375632
1-[bromo-bis(3-methylphenyl)methyl]-3-chlorobenzene
CID 90697476
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
penta-1,4-diene;1,3-xylene
CID 173131413
1-(1,1-dichloroprop-2-enyl)-2-methylbenzene
CID 596709
1-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methylbenzene
CID 79453481
2-methyl-2-(3-methylphenyl)pent-4-enoic acid
CID 117049190
1-ethenyl-3-methylbenzene
CID 7529
N-ethenyl-3-methylaniline
CID 69480469

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene?
The IUPAC name of 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene (CID 582368) is 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene.
What is the SMILES notation for 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene?
The canonical SMILES for 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene is C=CC(Cl)(Cl)c1cccc(C)c1.
What is the InChIKey of 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene?
The InChIKey is AMQWGXVNCRZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2/c1-3-10(11,12)9-6-4-5-8(2)7-9/h3-7H,1H2,2H3.
What are the key properties of 1-(1,1-dichloroprop-2-enyl)-3-methylbenzene?
1-(1,1-dichloroprop-2-enyl)-3-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)-3-methylbenzene is sourced from PubChem (CID 582368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).