1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene

C11H13Cl3 — CID 63459849

IUPAC1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
SMILESCC(Cl)C(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl3/c1-7(8(2)12)6-9-10(13)4-3-5-11(9)14/h3-5,7-8H,6H2,1-2H3
InChIKeyUQOZDGQDZPRXEW-UHFFFAOYSA-N
MW251.58 g/mol
LogP4.80
Rot. Bonds3

About 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene

1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene (PubChem CID 63459849) has the molecular formula C11H13Cl3 and a molecular weight of 251.58 g/mol. Its IUPAC name is 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
PubChem CID63459849
Molecular FormulaC11H13Cl3
Molecular Weight251.58 g/mol
Exact Mass250.01
IUPAC Name1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
SMILESCC(Cl)C(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl3/c1-7(8(2)12)6-9-10(13)4-3-5-11(9)14/h3-5,7-8H,6H2,1-2H3
InChIKeyUQOZDGQDZPRXEW-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845376
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692778
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
CID 61000700
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one
CID 113460047
5-chloro-3-[(2,6-dichlorophenyl)methyl]pentan-2-one
CID 103344124

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene?
The IUPAC name of 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene (CID 63459849) is 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene is CC(Cl)C(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene?
The InChIKey is UQOZDGQDZPRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3/c1-7(8(2)12)6-9-10(13)4-3-5-11(9)14/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene?
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene has a molecular weight of 251.58 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene is sourced from PubChem (CID 63459849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).