1-chloro-5-methoxy-2,4-dimethylbenzene;ethane

C11H17ClO — CID 144758840

IUPAC1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
SMILESCC.COc1cc(Cl)c(C)cc1C
InChIInChI=1S/C9H11ClO.C2H6/c1-6-4-7(2)9(11-3)5-8(6)10;1-2/h4-5H,1-3H3;1-2H3
InChIKeyGDYYCHFSPLHTTR-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.99
Rot. Bonds1

About 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane

1-chloro-5-methoxy-2,4-dimethylbenzene;ethane (PubChem CID 144758840) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
PubChem CID144758840
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
SMILESCC.COc1cc(Cl)c(C)cc1C
InChIInChI=1S/C9H11ClO.C2H6/c1-6-4-7(2)9(11-3)5-8(6)10;1-2/h4-5H,1-3H3;1-2H3
InChIKeyGDYYCHFSPLHTTR-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane?
The IUPAC name of 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane (CID 144758840) is 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane.
What is the SMILES notation for 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane?
The canonical SMILES for 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane is CC.COc1cc(Cl)c(C)cc1C.
What is the InChIKey of 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane?
The InChIKey is GDYYCHFSPLHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO.C2H6/c1-6-4-7(2)9(11-3)5-8(6)10;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane?
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane has a molecular weight of 200.71 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxy-2,4-dimethylbenzene;ethane is sourced from PubChem (CID 144758840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).