2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene

C15H22Cl2 — CID 141214652

IUPAC2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
SMILESCc1c(Cl)c(CC(C)C)cc(CC(C)C)c1Cl
InChIInChI=1S/C15H22Cl2/c1-9(2)6-12-8-13(7-10(3)4)15(17)11(5)14(12)16/h8-10H,6-7H2,1-5H3
InChIKeyYYHRZJKIYKEVRW-UHFFFAOYSA-N
MW273.25 g/mol
LogP5.70
Rot. Bonds4

About 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene

2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene (PubChem CID 141214652) has the molecular formula C15H22Cl2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
PubChem CID141214652
Molecular FormulaC15H22Cl2
Molecular Weight273.25 g/mol
Exact Mass272.11
IUPAC Name2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
SMILESCc1c(Cl)c(CC(C)C)cc(CC(C)C)c1Cl
InChIInChI=1S/C15H22Cl2/c1-9(2)6-12-8-13(7-10(3)4)15(17)11(5)14(12)16/h8-10H,6-7H2,1-5H3
InChIKeyYYHRZJKIYKEVRW-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.25
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
5-chloro-2,3-bis(2-methylpropyl)thiophene
CID 175272669
2,4-dichloro-1-ethyl-3,5-dimethylbenzene
CID 89248881
6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174930100
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol
CID 59194624
1,5-dichloro-2-fluoro-3-(2-methylpropyl)benzene
CID 118359557
3-chloro-4-(2-methylpropyl)thiophene
CID 146177932
4-tert-butyl-2-chloro-1-(2-methylpropyl)benzene
CID 118359640
4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
CID 117260673

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene?
The IUPAC name of 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene (CID 141214652) is 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene.
What is the SMILES notation for 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene?
The canonical SMILES for 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene is Cc1c(Cl)c(CC(C)C)cc(CC(C)C)c1Cl.
What is the InChIKey of 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene?
The InChIKey is YYHRZJKIYKEVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2/c1-9(2)6-12-8-13(7-10(3)4)15(17)11(5)14(12)16/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene?
2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene has a molecular weight of 273.25 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene is sourced from PubChem (CID 141214652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).