2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid

C15H16Cl2O5 — CID 85170154

IUPAC2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid
SMILESCCC1CCC(=O)OC1c1ccc(OCC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C15H16Cl2O5/c1-2-8-3-6-12(20)22-15(8)9-4-5-10(14(17)13(9)16)21-7-11(18)19/h4-5,8,15H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyASLAOUUHFRUYDE-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.86
Rot. Bonds5

About 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid

2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid (PubChem CID 85170154) has the molecular formula C15H16Cl2O5 and a molecular weight of 347.19 g/mol. Its IUPAC name is 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid
PubChem CID85170154
Molecular FormulaC15H16Cl2O5
Molecular Weight347.19 g/mol
Exact Mass346.04
IUPAC Name2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid
SMILESCCC1CCC(=O)OC1c1ccc(OCC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C15H16Cl2O5/c1-2-8-3-6-12(20)22-15(8)9-4-5-10(14(17)13(9)16)21-7-11(18)19/h4-5,8,15H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyASLAOUUHFRUYDE-UHFFFAOYSA-N
XLogP3.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid 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-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
CID 173335442
2-[2,3-dichloro-4-(5-methyl-3-oxocyclohexen-1-yl)phenoxy]acetic acid
CID 70453710
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
2-[[(5S,6S)-5-hydroxy-6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 173335440
prop-2-enoic acid;2-(2,3,4-trichlorophenoxy)acetic acid
CID 161126130
2-[2,3-dichloro-4-(3-methylbut-2-enoyl)phenoxy]acetic acid
CID 70453603
2-(4-bromo-2-cyclohexylphenoxy)acetic acid
CID 160908207
2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
CID 70446965
2-[[5-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855469
2-[4-[(Z)-2-(benzenesulfonyl)-3-oxobut-1-enyl]-2,3-dichlorophenoxy]acetic acid
CID 90679206

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid (CID 85170154) is 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid is CCC1CCC(=O)OC1c1ccc(OCC(=O)O)c(Cl)c1Cl.
What is the InChIKey of 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid?
The InChIKey is ASLAOUUHFRUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O5/c1-2-8-3-6-12(20)22-15(8)9-4-5-10(14(17)13(9)16)21-7-11(18)19/h4-5,8,15H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid?
2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid has a molecular weight of 347.19 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dichloro-4-(3-ethyl-6-oxooxan-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 85170154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).