1,3-dichloro-2,4-dipropylbenzene

C12H16Cl2 — CID 54410685

IUPAC1,3-dichloro-2,4-dipropylbenzene
SMILESCCCc1ccc(Cl)c(CCC)c1Cl
InChIInChI=1S/C12H16Cl2/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h7-8H,3-6H2,1-2H3
InChIKeyWGLJLJIQIHQOJZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP4.90
Rot. Bonds4

About 1,3-dichloro-2,4-dipropylbenzene

1,3-dichloro-2,4-dipropylbenzene (PubChem CID 54410685) has the molecular formula C12H16Cl2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1,3-dichloro-2,4-dipropylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2,4-dipropylbenzene
PubChem CID54410685
Molecular FormulaC12H16Cl2
Molecular Weight231.17 g/mol
Exact Mass230.06
IUPAC Name1,3-dichloro-2,4-dipropylbenzene
SMILESCCCc1ccc(Cl)c(CCC)c1Cl
InChIInChI=1S/C12H16Cl2/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h7-8H,3-6H2,1-2H3
InChIKeyWGLJLJIQIHQOJZ-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391
2,4-dichloro-3-propylbenzoic acid
CID 67726803
3-chloro-2-propylphenol
CID 15747295
2,4,6-trichloro-3-propylphenol
CID 158589056
2,3,5-trichloro-4-propylpyridine
CID 151036328
2,6-dichloro-3-ethylbenzaldehyde
CID 86691282
7-chloro-4-propyl-1-benzothiophene
CID 123468931
5-chloro-6-propylquinoxaline
CID 163809027
2-chloro-4-ethylsulfonyl-1-propylbenzene
CID 59864430
(2-butyl-3,4-dichlorophenyl)methanamine
CID 57351409
2-chloro-1-methyl-3-propylbenzene;formaldehyde
CID 177230855
7-chloro-4-propyl-2,3-dihydro-1-benzofuran
CID 168905043

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,4-dipropylbenzene?
The IUPAC name of 1,3-dichloro-2,4-dipropylbenzene (CID 54410685) is 1,3-dichloro-2,4-dipropylbenzene.
What is the SMILES notation for 1,3-dichloro-2,4-dipropylbenzene?
The canonical SMILES for 1,3-dichloro-2,4-dipropylbenzene is CCCc1ccc(Cl)c(CCC)c1Cl.
What is the InChIKey of 1,3-dichloro-2,4-dipropylbenzene?
The InChIKey is WGLJLJIQIHQOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-dichloro-2,4-dipropylbenzene?
1,3-dichloro-2,4-dipropylbenzene has a molecular weight of 231.17 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2,4-dipropylbenzene is sourced from PubChem (CID 54410685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).