4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene

C12H15Cl — CID 143343154

IUPAC4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1ccc(CCl)cc1C
InChIInChI=1S/C12H15Cl/c1-9(2)6-12-5-4-11(8-13)7-10(12)3/h4-5,7H,1,6,8H2,2-3H3
InChIKeyKKMQXVSRBJBKDT-UHFFFAOYSA-N
MW194.70 g/mol
LogP3.85
Rot. Bonds3

About 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene

4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene (PubChem CID 143343154) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
PubChem CID143343154
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
SMILESC=C(C)Cc1ccc(CCl)cc1C
InChIInChI=1S/C12H15Cl/c1-9(2)6-12-5-4-11(8-13)7-10(12)3/h4-5,7H,1,6,8H2,2-3H3
InChIKeyKKMQXVSRBJBKDT-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene?
The IUPAC name of 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene (CID 143343154) is 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene?
The canonical SMILES for 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene is C=C(C)Cc1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene?
The InChIKey is KKMQXVSRBJBKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-9(2)6-12-5-4-11(8-13)7-10(12)3/h4-5,7H,1,6,8H2,2-3H3.
What are the key properties of 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene?
4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene has a molecular weight of 194.70 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene is sourced from PubChem (CID 143343154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).