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

C25H26O4 — CID 16739990

IUPAC4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1
InChIInChI=1S/C25H26O4/c1-2-4-24(20-5-3-6-23(17-20)29-16-15-26)25(18-7-11-21(27)12-8-18)19-9-13-22(28)14-10-19/h3,5-14,17,26-28H,2,4,15-16H2,1H3
InChIKeyXWXTZNWOJCNEMK-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.23
Rot. Bonds8

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

4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol (PubChem CID 16739990) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
PubChem CID16739990
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1
InChIInChI=1S/C25H26O4/c1-2-4-24(20-5-3-6-23(17-20)29-16-15-26)25(18-7-11-21(27)12-8-18)19-9-13-22(28)14-10-19/h3,5-14,17,26-28H,2,4,15-16H2,1H3
InChIKeyXWXTZNWOJCNEMK-UHFFFAOYSA-N
XLogP5.23
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.23
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)hex-1-enyl]phenol
CID 16740010
2-[3-(1,1-diphenylbut-1-en-2-yl)phenoxy]ethanol
CID 141187864
4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16744280
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-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16740081
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166628462
4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
CID 16743767
3-(2-hydroxyethoxy)-N-octadecanoylbenzamide
CID 142668873
4-(3-octadecoxyphenyl)phenol
CID 91091323
benzyl 2-[3-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetate
CID 10576104
2-[4-[(Z)-1,2-diphenylpent-1-enyl]phenoxy]ethyl methanesulfonate
CID 130287998

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol (CID 16739990) is 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol is CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1.
What is the InChIKey of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The InChIKey is XWXTZNWOJCNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-2-4-24(20-5-3-6-23(17-20)29-16-15-26)25(18-7-11-21(27)12-8-18)19-9-13-22(28)14-10-19/h3,5-14,17,26-28H,2,4,15-16H2,1H3.
What are the key properties of 4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol has a molecular weight of 390.48 g/mol, XLogP of 5.23, 8 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)pent-1-enyl]phenol is sourced from PubChem (CID 16739990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).