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

C13H18Cl2 — CID 174519359

IUPAC1,4-dichloro-2-(2-methylhexyl)benzene
SMILESCCCCC(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2/c1-3-4-5-10(2)8-11-9-12(14)6-7-13(11)15/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyJFFHMRFTWIFKEG-UHFFFAOYSA-N
MW245.19 g/mol
LogP5.36
Rot. Bonds5

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

1,4-dichloro-2-(2-methylhexyl)benzene (PubChem CID 174519359) has the molecular formula C13H18Cl2 and a molecular weight of 245.19 g/mol. Its IUPAC name is 1,4-dichloro-2-(2-methylhexyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2-methylhexyl)benzene
PubChem CID174519359
Molecular FormulaC13H18Cl2
Molecular Weight245.19 g/mol
Exact Mass244.08
IUPAC Name1,4-dichloro-2-(2-methylhexyl)benzene
SMILESCCCCC(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2/c1-3-4-5-10(2)8-11-9-12(14)6-7-13(11)15/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyJFFHMRFTWIFKEG-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.19
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 65316021
1-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2-methylhexyl)benzene?
The IUPAC name of 1,4-dichloro-2-(2-methylhexyl)benzene (CID 174519359) is 1,4-dichloro-2-(2-methylhexyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(2-methylhexyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(2-methylhexyl)benzene is CCCCC(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(2-methylhexyl)benzene?
The InChIKey is JFFHMRFTWIFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2/c1-3-4-5-10(2)8-11-9-12(14)6-7-13(11)15/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1,4-dichloro-2-(2-methylhexyl)benzene?
1,4-dichloro-2-(2-methylhexyl)benzene has a molecular weight of 245.19 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2-methylhexyl)benzene is sourced from PubChem (CID 174519359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).