1-chloro-2-methyl-3,4-dipropylbenzene

C13H19Cl — CID 143014391

IUPAC1-chloro-2-methyl-3,4-dipropylbenzene
SMILESCCCc1ccc(Cl)c(C)c1CCC
InChIInChI=1S/C13H19Cl/c1-4-6-11-8-9-13(14)10(3)12(11)7-5-2/h8-9H,4-7H2,1-3H3
InChIKeyPTSZNQVULLHYMF-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.55
Rot. Bonds4

About 1-chloro-2-methyl-3,4-dipropylbenzene

1-chloro-2-methyl-3,4-dipropylbenzene (PubChem CID 143014391) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-chloro-2-methyl-3,4-dipropylbenzene.

Molecular Properties

Compound Name1-chloro-2-methyl-3,4-dipropylbenzene
PubChem CID143014391
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-chloro-2-methyl-3,4-dipropylbenzene
SMILESCCCc1ccc(Cl)c(C)c1CCC
InChIInChI=1S/C13H19Cl/c1-4-6-11-8-9-13(14)10(3)12(11)7-5-2/h8-9H,4-7H2,1-3H3
InChIKeyPTSZNQVULLHYMF-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-2,4-dipropylbenzene
CID 54410685
2-methyl-3,4-dipropylaniline
CID 70515438
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 67258684
2-pentyl-3,4-dipropylphenol
CID 66866454
1,2,3,4-tetrabutylbenzene
CID 11220391
azane;3,4-dipropylbenzene-1,2-diamine
CID 22352094
7-chloro-4-propyl-1-benzothiophene
CID 123468931
(2-butyl-3,4-dichlorophenyl)methanamine
CID 57351409
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
CID 90108140

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3,4-dipropylbenzene?
The IUPAC name of 1-chloro-2-methyl-3,4-dipropylbenzene (CID 143014391) is 1-chloro-2-methyl-3,4-dipropylbenzene.
What is the SMILES notation for 1-chloro-2-methyl-3,4-dipropylbenzene?
The canonical SMILES for 1-chloro-2-methyl-3,4-dipropylbenzene is CCCc1ccc(Cl)c(C)c1CCC.
What is the InChIKey of 1-chloro-2-methyl-3,4-dipropylbenzene?
The InChIKey is PTSZNQVULLHYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-4-6-11-8-9-13(14)10(3)12(11)7-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-chloro-2-methyl-3,4-dipropylbenzene?
1-chloro-2-methyl-3,4-dipropylbenzene has a molecular weight of 210.75 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3,4-dipropylbenzene is sourced from PubChem (CID 143014391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).