1-chloro-2-(1-ethoxypropan-2-yl)benzene

C11H15ClO — CID 91386695

IUPAC1-chloro-2-(1-ethoxypropan-2-yl)benzene
SMILESCCOCC(C)c1ccccc1Cl
InChIInChI=1S/C11H15ClO/c1-3-13-8-9(2)10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3
InChIKeyJWXIJGUSISBYOQ-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.48
Rot. Bonds4

About 1-chloro-2-(1-ethoxypropan-2-yl)benzene

1-chloro-2-(1-ethoxypropan-2-yl)benzene (PubChem CID 91386695) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-chloro-2-(1-ethoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1-ethoxypropan-2-yl)benzene
PubChem CID91386695
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-chloro-2-(1-ethoxypropan-2-yl)benzene
SMILESCCOCC(C)c1ccccc1Cl
InChIInChI=1S/C11H15ClO/c1-3-13-8-9(2)10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3
InChIKeyJWXIJGUSISBYOQ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-(1-ethoxypropan-2-yl)benzene 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

2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1,2-dichlorobenzene;ethoxyethane
CID 68845412
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
[2-(2-chlorophenyl)-1,3-diethoxypropyl] formate
CID 171485500
1-chloro-2-iodobenzene;ethoxyethane
CID 67785731
1-(1-bromo-4-ethoxybutan-2-yl)-2-chlorobenzene
CID 79454859
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636
3-(2-chlorophenyl)-N-propylbutan-1-amine
CID 81019163
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-ethoxypropan-2-yl)benzene?
The IUPAC name of 1-chloro-2-(1-ethoxypropan-2-yl)benzene (CID 91386695) is 1-chloro-2-(1-ethoxypropan-2-yl)benzene.
What is the SMILES notation for 1-chloro-2-(1-ethoxypropan-2-yl)benzene?
The canonical SMILES for 1-chloro-2-(1-ethoxypropan-2-yl)benzene is CCOCC(C)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(1-ethoxypropan-2-yl)benzene?
The InChIKey is JWXIJGUSISBYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-13-8-9(2)10-6-4-5-7-11(10)12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-chloro-2-(1-ethoxypropan-2-yl)benzene?
1-chloro-2-(1-ethoxypropan-2-yl)benzene has a molecular weight of 198.69 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-ethoxypropan-2-yl)benzene is sourced from PubChem (CID 91386695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).