1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene

C11H12Cl2O — CID 79173400

IUPAC1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene
SMILESCCc1cccc(OCC(Cl)=CCl)c1
InChIInChI=1S/C11H12Cl2O/c1-2-9-4-3-5-11(6-9)14-8-10(13)7-12/h3-7H,2,8H2,1H3
InChIKeySYTJXVAAMVHZBQ-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene

1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene (PubChem CID 79173400) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene
PubChem CID79173400
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene
SMILESCCc1cccc(OCC(Cl)=CCl)c1
InChIInChI=1S/C11H12Cl2O/c1-2-9-4-3-5-11(6-9)14-8-10(13)7-12/h3-7H,2,8H2,1H3
InChIKeySYTJXVAAMVHZBQ-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene 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-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
potassium (3-ethylphenoxy)methyl-trifluoroboranuide
CID 63703906
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine
CID 106436789
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene?
The IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene (CID 79173400) is 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene?
The canonical SMILES for 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene is CCc1cccc(OCC(Cl)=CCl)c1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene?
The InChIKey is SYTJXVAAMVHZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-2-9-4-3-5-11(6-9)14-8-10(13)7-12/h3-7H,2,8H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene?
1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene has a molecular weight of 231.12 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene is sourced from PubChem (CID 79173400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).