2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid

C18H18F2O5 — CID 89482793

IUPAC2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid
SMILESCOc1cc(CCOCC(=O)O)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C18H18F2O5/c1-23-17-8-12(6-7-24-11-18(21)22)2-5-16(17)25-10-13-9-14(19)3-4-15(13)20/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,22)
InChIKeyXFZDKHBVXJRSAN-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.20
Rot. Bonds9

About 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid

2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid (PubChem CID 89482793) has the molecular formula C18H18F2O5 and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid
PubChem CID89482793
Molecular FormulaC18H18F2O5
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC Name2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid
SMILESCOc1cc(CCOCC(=O)O)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C18H18F2O5/c1-23-17-8-12(6-7-24-11-18(21)22)2-5-16(17)25-10-13-9-14(19)3-4-15(13)20/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,22)
InChIKeyXFZDKHBVXJRSAN-UHFFFAOYSA-N
XLogP3.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]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-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
CID 79017010
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616583
2-[2-(4-bromophenyl)ethoxy]acetic acid;methyl 2-[3-(3,4-dimethoxyphenyl)propoxy]acetate
CID 143564085
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid (CID 89482793) is 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid is COc1cc(CCOCC(=O)O)ccc1OCc1cc(F)ccc1F.
What is the InChIKey of 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid?
The InChIKey is XFZDKHBVXJRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O5/c1-23-17-8-12(6-7-24-11-18(21)22)2-5-16(17)25-10-13-9-14(19)3-4-15(13)20/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid?
2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid has a molecular weight of 352.33 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid is sourced from PubChem (CID 89482793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).