2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid

C24H22O3 — CID 10832249

IUPAC2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(CC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C24H22O3/c1-2-22(18-6-4-3-5-7-18)24(20-12-14-21(25)15-13-20)19-10-8-17(9-11-19)16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+
InChIKeyNFLLWMPUSSDORK-ZNTNEXAZSA-N
MW358.44 g/mol
LogP5.39
Rot. Bonds6

About 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid

2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid (PubChem CID 10832249) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid
PubChem CID10832249
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(CC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C24H22O3/c1-2-22(18-6-4-3-5-7-18)24(20-12-14-21(25)15-13-20)19-10-8-17(9-11-19)16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+
InChIKeyNFLLWMPUSSDORK-ZNTNEXAZSA-N
XLogP5.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid (CID 10832249) is 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid is CC/C(=C(\c1ccc(O)cc1)c1ccc(CC(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid?
The InChIKey is NFLLWMPUSSDORK-ZNTNEXAZSA-N. The full InChI is InChI=1S/C24H22O3/c1-2-22(18-6-4-3-5-7-18)24(20-12-14-21(25)15-13-20)19-10-8-17(9-11-19)16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+.
What are the key properties of 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid?
2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid has a molecular weight of 358.44 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetic acid is sourced from PubChem (CID 10832249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).