(4-chloro-2-methylbutan-2-yl)benzene

C11H15Cl — CID 21421283

IUPAC(4-chloro-2-methylbutan-2-yl)benzene
SMILESCC(C)(CCCl)c1ccccc1
InChIInChI=1S/C11H15Cl/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeySIOCXDIAZOPHFU-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.59
Rot. Bonds3

About (4-chloro-2-methylbutan-2-yl)benzene

(4-chloro-2-methylbutan-2-yl)benzene (PubChem CID 21421283) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is (4-chloro-2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name(4-chloro-2-methylbutan-2-yl)benzene
PubChem CID21421283
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name(4-chloro-2-methylbutan-2-yl)benzene
SMILESCC(C)(CCCl)c1ccccc1
InChIInChI=1S/C11H15Cl/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeySIOCXDIAZOPHFU-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylbutan-2-yl)benzene?
The IUPAC name of (4-chloro-2-methylbutan-2-yl)benzene (CID 21421283) is (4-chloro-2-methylbutan-2-yl)benzene.
What is the SMILES notation for (4-chloro-2-methylbutan-2-yl)benzene?
The canonical SMILES for (4-chloro-2-methylbutan-2-yl)benzene is CC(C)(CCCl)c1ccccc1.
What is the InChIKey of (4-chloro-2-methylbutan-2-yl)benzene?
The InChIKey is SIOCXDIAZOPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of (4-chloro-2-methylbutan-2-yl)benzene?
(4-chloro-2-methylbutan-2-yl)benzene has a molecular weight of 182.69 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylbutan-2-yl)benzene is sourced from PubChem (CID 21421283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).