4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid

C23H22O3 — CID 171715405

IUPAC4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccc(CCc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H22O3/c24-22-15-11-20(12-16-22)8-6-18-3-1-17(2-4-18)5-7-19-9-13-21(14-10-19)23(25)26/h1-4,9-16,24H,5-8H2,(H,25,26)
InChIKeySTEPZZXZKBYRFY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.66
Rot. Bonds7

About 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid

4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid (PubChem CID 171715405) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
PubChem CID171715405
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccc(CCc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H22O3/c24-22-15-11-20(12-16-22)8-6-18-3-1-17(2-4-18)5-7-19-9-13-21(14-10-19)23(25)26/h1-4,9-16,24H,5-8H2,(H,25,26)
InChIKeySTEPZZXZKBYRFY-UHFFFAOYSA-N
XLogP4.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11275035
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4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-ethylphenol;4-hydroxybenzoic acid
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4-[5-(4-hydroxyphenyl)-5-oxopentyl]benzoic acid
CID 72714561
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
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ethene;bis(4-hydroxybenzoic acid)
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4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid?
The IUPAC name of 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid (CID 171715405) is 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid is O=C(O)c1ccc(CCc2ccc(CCc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid?
The InChIKey is STEPZZXZKBYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c24-22-15-11-20(12-16-22)8-6-18-3-1-17(2-4-18)5-7-19-9-13-21(14-10-19)23(25)26/h1-4,9-16,24H,5-8H2,(H,25,26).
What are the key properties of 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid?
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid is sourced from PubChem (CID 171715405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).