4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid

C24H22O5 — CID 171715325

IUPAC4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(CCc2ccc(CCc3ccc(C(=O)O)c(O)c3)cc2)cc1
InChIInChI=1S/C24H22O5/c25-22-15-19(11-14-21(22)24(28)29)8-7-17-3-1-16(2-4-17)5-6-18-9-12-20(13-10-18)23(26)27/h1-4,9-15,25H,5-8H2,(H,26,27)(H,28,29)
InChIKeyXAXQDWQQYNJSGZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.36
Rot. Bonds8

About 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid

4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid (PubChem CID 171715325) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
PubChem CID171715325
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(CCc2ccc(CCc3ccc(C(=O)O)c(O)c3)cc2)cc1
InChIInChI=1S/C24H22O5/c25-22-15-19(11-14-21(22)24(28)29)8-7-17-3-1-16(2-4-17)5-6-18-9-12-20(13-10-18)23(26)27/h1-4,9-15,25H,5-8H2,(H,26,27)(H,28,29)
InChIKeyXAXQDWQQYNJSGZ-UHFFFAOYSA-N
XLogP4.36
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic 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

4-[2-[3-[2-(4-carboxy-3-hydroxyphenyl)ethyl]-5-hydroxyphenyl]ethyl]-2-hydroxybenzoic acid
CID 171715379
4-butyl-2-hydroxybenzoic acid
CID 14895249
4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715672
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
4-hydroxybenzoic acid;2-hydroxyterephthalic acid
CID 174971569
4-[2-[4,5-dihydroxy-2-[2-(3,4,5-trihydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715552
4-[4-[2-[4-(3,4-dicarboxybenzoyl)phenyl]ethyl]benzoyl]phthalic acid
CID 54555161
4-[2-[5-[2-(3,4,5-trihydroxyphenyl)ethyl]-3-pyridinyl]ethyl]benzoic acid
CID 175639823
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682
2-hydroxy-4-(nitromethyl)benzoic acid
CID 19879867

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid (CID 171715325) is 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(CCc2ccc(CCc3ccc(C(=O)O)c(O)c3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
The InChIKey is XAXQDWQQYNJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c25-22-15-19(11-14-21(22)24(28)29)8-7-17-3-1-16(2-4-17)5-6-18-9-12-20(13-10-18)23(26)27/h1-4,9-15,25H,5-8H2,(H,26,27)(H,28,29).
What are the key properties of 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid has a molecular weight of 390.44 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 171715325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).