4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid

C26H26O4 — CID 90901535

IUPAC4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid
SMILESCC=C(c1ccccc1)C(c1ccc(O)cc1)c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C26H26O4/c1-2-24(19-7-4-3-5-8-19)26(20-10-14-22(27)15-11-20)21-12-16-23(17-13-21)30-18-6-9-25(28)29/h2-5,7-8,10-17,26-27H,6,9,18H2,1H3,(H,28,29)
InChIKeyIECGHUSUBNJELQ-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.87
Rot. Bonds9

About 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid

4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid (PubChem CID 90901535) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid
PubChem CID90901535
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid
SMILESCC=C(c1ccccc1)C(c1ccc(O)cc1)c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C26H26O4/c1-2-24(19-7-4-3-5-8-19)26(20-10-14-22(27)15-11-20)21-12-16-23(17-13-21)30-18-6-9-25(28)29/h2-5,7-8,10-17,26-27H,6,9,18H2,1H3,(H,28,29)
InChIKeyIECGHUSUBNJELQ-UHFFFAOYSA-N
XLogP5.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1,2-diphenylbut-2-enyl]phenol
CID 70549911
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide
CID 68731126
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
1-[4-(4-bromobutoxy)phenyl]-1-phenylpropan-2-one
CID 174695302
9-phenoxynonanoic acid
CID 15887638
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid
CID 87055143
4-[4-[[(2S)-2-phenylpropanoyl]amino]phenoxy]butanoic acid
CID 120688439
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid (CID 90901535) is 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid is CC=C(c1ccccc1)C(c1ccc(O)cc1)c1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid?
The InChIKey is IECGHUSUBNJELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4/c1-2-24(19-7-4-3-5-8-19)26(20-10-14-22(27)15-11-20)21-12-16-23(17-13-21)30-18-6-9-25(28)29/h2-5,7-8,10-17,26-27H,6,9,18H2,1H3,(H,28,29).
What are the key properties of 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid?
4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid has a molecular weight of 402.49 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid is sourced from PubChem (CID 90901535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).