4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol

C26H28O4 — CID 16740010

IUPAC4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol
SMILESCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1
InChIInChI=1S/C26H28O4/c1-2-3-7-25(21-5-4-6-24(18-21)30-17-16-27)26(19-8-12-22(28)13-9-19)20-10-14-23(29)15-11-20/h4-6,8-15,18,27-29H,2-3,7,16-17H2,1H3
InChIKeyXCSWFUJMCIKLJE-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.62
Rot. Bonds9

About 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol

4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol (PubChem CID 16740010) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol
PubChem CID16740010
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol
SMILESCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1
InChIInChI=1S/C26H28O4/c1-2-3-7-25(21-5-4-6-24(18-21)30-17-16-27)26(19-8-12-22(28)13-9-19)20-10-14-23(29)15-11-20/h4-6,8-15,18,27-29H,2-3,7,16-17H2,1H3
InChIKeyXCSWFUJMCIKLJE-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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16739990
2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol
CID 141187864
4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenol;2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol;propan-1-ol
CID 161238047
4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16744280
4-(3-octadecoxyphenyl)phenol
CID 91091323
3-(2-hydroxyethoxy)-N-octadecanoylbenzamide
CID 142668873
4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
CID 16743767
2-[4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]-2-methoxyphenoxy]acetic acid
CID 59869376
4-[(Z)-5-hydroxy-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493073
phenyl (Z)-6-[4-(2-hydroxyethoxy)phenyl]-5,6-diphenylhex-5-enoate
CID 158903679
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
4-[(Z)-5-hydroxy-1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol
CID 138493021

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
The IUPAC name of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol (CID 16740010) is 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol.
What is the SMILES notation for 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
The canonical SMILES for 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol is CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1.
What is the InChIKey of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
The InChIKey is XCSWFUJMCIKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-2-3-7-25(21-5-4-6-24(18-21)30-17-16-27)26(19-8-12-22(28)13-9-19)20-10-14-23(29)15-11-20/h4-6,8-15,18,27-29H,2-3,7,16-17H2,1H3.
What are the key properties of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol?
4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-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-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol is sourced from PubChem (CID 16740010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).