2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid

C20H14Cl2O5 — CID 23648116

IUPAC2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(Cl)c1
InChIInChI=1S/C20H14Cl2O5/c21-16-7-11(9-19(25)26)8-17(22)20(16)27-14-5-6-18(24)15(10-14)12-1-3-13(23)4-2-12/h1-8,10,23-24H,9H2,(H,25,26)
InChIKeyDBSWHCJBBYJIJU-UHFFFAOYSA-N
MW405.23 g/mol
LogP5.49
Rot. Bonds5

About 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid

2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid (PubChem CID 23648116) has the molecular formula C20H14Cl2O5 and a molecular weight of 405.23 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid
PubChem CID23648116
Molecular FormulaC20H14Cl2O5
Molecular Weight405.23 g/mol
Exact Mass404.02
IUPAC Name2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(Cl)c1
InChIInChI=1S/C20H14Cl2O5/c21-16-7-11(9-19(25)26)8-17(22)20(16)27-14-5-6-18(24)15(10-14)12-1-3-13(23)4-2-12/h1-8,10,23-24H,9H2,(H,25,26)
InChIKeyDBSWHCJBBYJIJU-UHFFFAOYSA-N
XLogP5.49
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.23
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]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

Fenclofenac
CID 65394
KB-141
CID 9863447
3-{3,5-Dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}propanoic acid
CID 10904700
2-{3,5-Dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphenoxy]phenyl}acetic acid
CID 23648101
2-(3,5-Dichloro-4-{4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenoxy}phenyl)acetic acid
CID 23648107
2-(3,5-Dichloro-4-{3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenoxy}phenyl)acetic acid
CID 23648112
3,5-Dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]benzoic acid
CID 9862799
2-[3,5-Dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]acetic acid
CID 23648105
2-(3,5-Dichloro-4-{4-hydroxy-3-[2-(trifluoromethyl)phenyl]phenoxy}phenyl)acetic acid
CID 23648106
2-(3,5-Dichloro-4-{4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenoxy}phenyl)acetic acid
CID 23648108
2-(3,5-Dichloro-4-{4-hydroxy-3-[3-(propan-2-yl)phenyl]phenoxy}phenyl)acetic acid
CID 23648109
2-{3,5-Dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl}acetic acid
CID 23648110

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid (CID 23648116) is 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid?
The InChIKey is DBSWHCJBBYJIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O5/c21-16-7-11(9-19(25)26)8-17(22)20(16)27-14-5-6-18(24)15(10-14)12-1-3-13(23)4-2-12/h1-8,10,23-24H,9H2,(H,25,26).
What are the key properties of 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid?
2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid has a molecular weight of 405.23 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[4-hydroxy-3-(4-hydroxyphenyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 23648116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).