2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid

C14H17ClO5 — CID 146457189

IUPAC2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCOC2CCCCO2)c1Cl
InChIInChI=1S/C14H17ClO5/c15-13-10(14(16)17)4-3-5-11(13)18-8-9-20-12-6-1-2-7-19-12/h3-5,12H,1-2,6-9H2,(H,16,17)
InChIKeyHTZYUYHAFQRRLM-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.96
Rot. Bonds6

About 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid

2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid (PubChem CID 146457189) has the molecular formula C14H17ClO5 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
PubChem CID146457189
Molecular FormulaC14H17ClO5
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
SMILESO=C(O)c1cccc(OCCOC2CCCCO2)c1Cl
InChIInChI=1S/C14H17ClO5/c15-13-10(14(16)17)4-3-5-11(13)18-8-9-20-12-6-1-2-7-19-12/h3-5,12H,1-2,6-9H2,(H,16,17)
InChIKeyHTZYUYHAFQRRLM-UHFFFAOYSA-N
XLogP2.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic 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-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
3-methyl-2-[2-(oxan-2-yloxy)ethoxymethyl]benzoic acid
CID 122573168
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-(2-phenoxyethoxy)oxane
CID 11736193
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107
2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
CID 10760189
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
tert-butyl N-[6-[[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]oxy]hexyl]carbamate;2-chloro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 160607731
4-bromo-2,5-dimethyl-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 118496621
3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
CID 174187887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid?
The IUPAC name of 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid (CID 146457189) is 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid?
The canonical SMILES for 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid is O=C(O)c1cccc(OCCOC2CCCCO2)c1Cl.
What is the InChIKey of 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid?
The InChIKey is HTZYUYHAFQRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO5/c15-13-10(14(16)17)4-3-5-11(13)18-8-9-20-12-6-1-2-7-19-12/h3-5,12H,1-2,6-9H2,(H,16,17).
What are the key properties of 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid?
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid has a molecular weight of 300.74 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid is sourced from PubChem (CID 146457189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).