4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol

C26H28O4 — CID 16743767

IUPAC4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCCCO)cc1
InChIInChI=1S/C26H28O4/c1-2-25(19-9-15-24(16-10-19)30-18-4-3-17-27)26(20-5-11-22(28)12-6-20)21-7-13-23(29)14-8-21/h5-16,27-29H,2-4,17-18H2,1H3
InChIKeyYVCNSEGVFUEHMG-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.62
Rot. Bonds9

About 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol

4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol (PubChem CID 16743767) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
PubChem CID16743767
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCCCO)cc1
InChIInChI=1S/C26H28O4/c1-2-25(19-9-15-24(16-10-19)30-18-4-3-17-27)26(20-5-11-22(28)12-6-20)21-7-13-23(29)14-8-21/h5-16,27-29H,2-4,17-18H2,1H3
InChIKeyYVCNSEGVFUEHMG-UHFFFAOYSA-N
XLogP5.62
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-hydroxyphenyl)but-1-en-2-yl]phenol
CID 73386689
4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
CID 72958463
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenyl)but-1-enyl]phenol
CID 70452979
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
2-[4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenoxy]acetic acid
CID 10620416
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
CID 11365344
CID 11365344
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenol;hydrochloride
CID 67944530

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol?
The IUPAC name of 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol (CID 16743767) is 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol.
What is the SMILES notation for 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol?
The canonical SMILES for 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCCCO)cc1.
What is the InChIKey of 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol?
The InChIKey is YVCNSEGVFUEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-2-25(19-9-15-24(16-10-19)30-18-4-3-17-27)26(20-5-11-22(28)12-6-20)21-7-13-23(29)14-8-21/h5-16,27-29H,2-4,17-18H2,1H3.
What are the key properties of 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol?
4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol has a molecular weight of 404.51 g/mol, XLogP of 5.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol is sourced from PubChem (CID 16743767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).