4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid

C23H22O5 — CID 171715672

IUPAC4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(CCc2cccc(CCc3cc(O)cc(O)c3)c2)cc1O
InChIInChI=1S/C23H22O5/c24-19-11-18(12-20(25)14-19)7-6-16-3-1-2-15(10-16)4-5-17-8-9-21(23(27)28)22(26)13-17/h1-3,8-14,24-26H,4-7H2,(H,27,28)
InChIKeyQCVHLDFAYBXOSO-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.07
Rot. Bonds7

About 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid

4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid (PubChem CID 171715672) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
PubChem CID171715672
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(CCc2cccc(CCc3cc(O)cc(O)c3)c2)cc1O
InChIInChI=1S/C23H22O5/c24-19-11-18(12-20(25)14-19)7-6-16-3-1-2-15(10-16)4-5-17-8-9-21(23(27)28)22(26)13-17/h1-3,8-14,24-26H,4-7H2,(H,27,28)
InChIKeyQCVHLDFAYBXOSO-UHFFFAOYSA-N
XLogP4.07
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-[2-(4-carboxy-3-hydroxyphenyl)ethyl]-5-hydroxyphenyl]ethyl]-2-hydroxybenzoic acid
CID 171715379
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325
4-butyl-2-hydroxybenzoic acid
CID 14895249
2,4-dihydroxybenzoic acid
CID 1491
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
2-hydroxy-4-(propan-2-yloxymethyl)benzoic acid
CID 83884862
2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
CID 131972187
2-hydroxy-4-(nitromethyl)benzoic acid
CID 19879867
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
CID 167952016
5-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]-2-hydroxyphenyl]ethyl]benzene-1,2,3-triol
CID 175639749
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
3-[2-(3-hydroxyphenyl)ethyl]-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
CID 172871078

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid (CID 171715672) is 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid is O=C(O)c1ccc(CCc2cccc(CCc3cc(O)cc(O)c3)c2)cc1O.
What is the InChIKey of 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
The InChIKey is QCVHLDFAYBXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c24-19-11-18(12-20(25)14-19)7-6-16-3-1-2-15(10-16)4-5-17-8-9-21(23(27)28)22(26)13-17/h1-3,8-14,24-26H,4-7H2,(H,27,28).
What are the key properties of 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid?
4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid has a molecular weight of 378.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 171715672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).