2,4-dichloro-1-(2,2-dimethylheptyl)benzene

C15H22Cl2 — CID 134535823

IUPAC2,4-dichloro-1-(2,2-dimethylheptyl)benzene
SMILESCCCCCC(C)(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2/c1-4-5-6-9-15(2,3)11-12-7-8-13(16)10-14(12)17/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyFIFBKIXTOKUGCJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP6.14
Rot. Bonds6

About 2,4-dichloro-1-(2,2-dimethylheptyl)benzene

2,4-dichloro-1-(2,2-dimethylheptyl)benzene (PubChem CID 134535823) has the molecular formula C15H22Cl2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,4-dichloro-1-(2,2-dimethylheptyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2,2-dimethylheptyl)benzene
PubChem CID134535823
Molecular FormulaC15H22Cl2
Molecular Weight273.25 g/mol
Exact Mass272.11
IUPAC Name2,4-dichloro-1-(2,2-dimethylheptyl)benzene
SMILESCCCCCC(C)(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2/c1-4-5-6-9-15(2,3)11-12-7-8-13(16)10-14(12)17/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyFIFBKIXTOKUGCJ-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.25
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-1-(2,2-dimethylheptyl)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

2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
2-chloro-1,4-bis(2,2-dimethylbutyl)benzene
CID 90334863
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
CID 23276942
2,4-dichloro-N-decylaniline
CID 63489638
[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 70809258
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2,2-dimethylheptyl)benzene?
The IUPAC name of 2,4-dichloro-1-(2,2-dimethylheptyl)benzene (CID 134535823) is 2,4-dichloro-1-(2,2-dimethylheptyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2,2-dimethylheptyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(2,2-dimethylheptyl)benzene is CCCCCC(C)(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2,2-dimethylheptyl)benzene?
The InChIKey is FIFBKIXTOKUGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2/c1-4-5-6-9-15(2,3)11-12-7-8-13(16)10-14(12)17/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of 2,4-dichloro-1-(2,2-dimethylheptyl)benzene?
2,4-dichloro-1-(2,2-dimethylheptyl)benzene has a molecular weight of 273.25 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2,2-dimethylheptyl)benzene is sourced from PubChem (CID 134535823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).