ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate

C15H21ClO4 — CID 83041897

IUPACethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
SMILESCCCC(Oc1ccc(Cl)cc1C(C)O)C(=O)OCC
InChIInChI=1S/C15H21ClO4/c1-4-6-14(15(18)19-5-2)20-13-8-7-11(16)9-12(13)10(3)17/h7-10,14,17H,4-6H2,1-3H3
InChIKeyCIKIIRDXOYTNON-UHFFFAOYSA-N
MW300.78 g/mol
LogP3.50
Rot. Bonds7

About ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate

ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate (PubChem CID 83041897) has the molecular formula C15H21ClO4 and a molecular weight of 300.78 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
PubChem CID83041897
Molecular FormulaC15H21ClO4
Molecular Weight300.78 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
SMILESCCCC(Oc1ccc(Cl)cc1C(C)O)C(=O)OCC
InChIInChI=1S/C15H21ClO4/c1-4-6-14(15(18)19-5-2)20-13-8-7-11(16)9-12(13)10(3)17/h7-10,14,17H,4-6H2,1-3H3
InChIKeyCIKIIRDXOYTNON-UHFFFAOYSA-N
XLogP3.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate 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

ethyl 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83040549
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
ethyl 2-(5-chloro-2-cyanophenoxy)pentanoate
CID 83037721
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
(1S)-1-[5-chloro-2-(2-methylpentoxy)phenyl]ethanol
CID 78931429
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83041479
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate?
The IUPAC name of ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate (CID 83041897) is ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate?
The canonical SMILES for ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate is CCCC(Oc1ccc(Cl)cc1C(C)O)C(=O)OCC.
What is the InChIKey of ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate?
The InChIKey is CIKIIRDXOYTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4/c1-4-6-14(15(18)19-5-2)20-13-8-7-11(16)9-12(13)10(3)17/h7-10,14,17H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate?
ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate has a molecular weight of 300.78 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate is sourced from PubChem (CID 83041897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).