1-chloro-2,3,5-trimethylbenzene;ethane

C11H17Cl — CID 142028955

IUPAC1-chloro-2,3,5-trimethylbenzene;ethane
SMILESCC.Cc1cc(C)c(C)c(Cl)c1
InChIInChI=1S/C9H11Cl.C2H6/c1-6-4-7(2)8(3)9(10)5-6;1-2/h4-5H,1-3H3;1-2H3
InChIKeyQEUKKVGSVYVZQL-UHFFFAOYSA-N
MW184.71 g/mol
LogP4.29
Rot. Bonds

About 1-chloro-2,3,5-trimethylbenzene;ethane

1-chloro-2,3,5-trimethylbenzene;ethane (PubChem CID 142028955) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 1-chloro-2,3,5-trimethylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-2,3,5-trimethylbenzene;ethane
PubChem CID142028955
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name1-chloro-2,3,5-trimethylbenzene;ethane
SMILESCC.Cc1cc(C)c(C)c(Cl)c1
InChIInChI=1S/C9H11Cl.C2H6/c1-6-4-7(2)8(3)9(10)5-6;1-2/h4-5H,1-3H3;1-2H3
InChIKeyQEUKKVGSVYVZQL-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-chloro-4,5-dimethylphenol
CID 5324739
2,6-dichloro-4-methylaniline;ethane
CID 143233725
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
CID 139403949
1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736542
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
CID 84668610
1-chloro-5-cyclopropyl-2,3-dimethylbenzene
CID 59813088
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5-trimethylbenzene;ethane?
The IUPAC name of 1-chloro-2,3,5-trimethylbenzene;ethane (CID 142028955) is 1-chloro-2,3,5-trimethylbenzene;ethane.
What is the SMILES notation for 1-chloro-2,3,5-trimethylbenzene;ethane?
The canonical SMILES for 1-chloro-2,3,5-trimethylbenzene;ethane is CC.Cc1cc(C)c(C)c(Cl)c1.
What is the InChIKey of 1-chloro-2,3,5-trimethylbenzene;ethane?
The InChIKey is QEUKKVGSVYVZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.C2H6/c1-6-4-7(2)8(3)9(10)5-6;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of 1-chloro-2,3,5-trimethylbenzene;ethane?
1-chloro-2,3,5-trimethylbenzene;ethane has a molecular weight of 184.71 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5-trimethylbenzene;ethane is sourced from PubChem (CID 142028955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).