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

C28H32O5 — CID 16740081

IUPAC4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OC)c(CCOCCO)c1
InChIInChI=1S/C28H32O5/c1-3-4-26(22-9-14-27(32-2)23(19-22)15-17-33-18-16-29)28(20-5-10-24(30)11-6-20)21-7-12-25(31)13-8-21/h5-14,19,29-31H,3-4,15-18H2,1-2H3
InChIKeyGJJKTEMMWDRGJA-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.42
Rot. Bonds11

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

4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol (PubChem CID 16740081) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
PubChem CID16740081
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OC)c(CCOCCO)c1
InChIInChI=1S/C28H32O5/c1-3-4-26(22-9-14-27(32-2)23(19-22)15-17-33-18-16-29)28(20-5-10-24(30)11-6-20)21-7-12-25(31)13-8-21/h5-14,19,29-31H,3-4,15-18H2,1-2H3
InChIKeyGJJKTEMMWDRGJA-UHFFFAOYSA-N
XLogP5.42
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16744280
4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16739990
3-[5-[1,1-bis(4-hydroxyphenyl)pent-1-en-2-yl]-2-methoxyphenyl]prop-2-enoic acid
CID 69135719
2-[4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]-2-methoxyphenoxy]acetic acid
CID 59869376
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
4-[2-[3-(2-hydroxyethoxy)phenyl]-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 16740010
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
CID 162503231
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
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol (CID 16740081) is 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol is CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OC)c(CCOCCO)c1.
What is the InChIKey of 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The InChIKey is GJJKTEMMWDRGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O5/c1-3-4-26(22-9-14-27(32-2)23(19-22)15-17-33-18-16-29)28(20-5-10-24(30)11-6-20)21-7-12-25(31)13-8-21/h5-14,19,29-31H,3-4,15-18H2,1-2H3.
What are the key properties of 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol has a molecular weight of 448.56 g/mol, XLogP of 5.42, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(2-hydroxyethoxy)ethyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol is sourced from PubChem (CID 16740081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).