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

C26H28O5 — CID 16744280

IUPAC4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCO)c(OC)c1
InChIInChI=1S/C26H28O5/c1-3-4-23(20-9-14-24(31-16-15-27)25(17-20)30-2)26(18-5-10-21(28)11-6-18)19-7-12-22(29)13-8-19/h5-14,17,27-29H,3-4,15-16H2,1-2H3
InChIKeyMHVZMHLKZDLGTQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.24
Rot. Bonds9

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

4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol (PubChem CID 16744280) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
PubChem CID16744280
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCO)c(OC)c1
InChIInChI=1S/C26H28O5/c1-3-4-23(20-9-14-24(31-16-15-27)25(17-20)30-2)26(18-5-10-21(28)11-6-18)19-7-12-22(29)13-8-19/h5-14,17,27-29H,3-4,15-16H2,1-2H3
InChIKeyMHVZMHLKZDLGTQ-UHFFFAOYSA-N
XLogP5.24
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16740081
2-[4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]-2-methoxyphenoxy]acetic acid
CID 59869376
4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 16740010
3-[5-[1,1-bis(4-hydroxyphenyl)pent-1-en-2-yl]-2-methoxyphenyl]prop-2-enoic acid
CID 69135719
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
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-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol
CID 141187863

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol (CID 16744280) is 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol is CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCO)c(OC)c1.
What is the InChIKey of 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The InChIKey is MHVZMHLKZDLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O5/c1-3-4-23(20-9-14-24(31-16-15-27)25(17-20)30-2)26(18-5-10-21(28)11-6-18)19-7-12-22(29)13-8-19/h5-14,17,27-29H,3-4,15-16H2,1-2H3.
What are the key properties of 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol has a molecular weight of 420.51 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol is sourced from PubChem (CID 16744280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).