4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol

C21H26O4 — CID 11089156

IUPAC4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol
SMILESCCOC(c1ccc(O)cc1)C(C/C=C/c1ccc(O)cc1)COC
InChIInChI=1S/C21H26O4/c1-3-25-21(17-9-13-20(23)14-10-17)18(15-24-2)6-4-5-16-7-11-19(22)12-8-16/h4-5,7-14,18,21-23H,3,6,15H2,1-2H3/b5-4+
InChIKeyOYQQRPCWFXPSTN-SNAWJCMRSA-N
MW342.44 g/mol
LogP4.54
Rot. Bonds9

About 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol

4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol (PubChem CID 11089156) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol
PubChem CID11089156
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol
SMILESCCOC(c1ccc(O)cc1)C(C/C=C/c1ccc(O)cc1)COC
InChIInChI=1S/C21H26O4/c1-3-25-21(17-9-13-20(23)14-10-17)18(15-24-2)6-4-5-16-7-11-19(22)12-8-16/h4-5,7-14,18,21-23H,3,6,15H2,1-2H3/b5-4+
InChIKeyOYQQRPCWFXPSTN-SNAWJCMRSA-N
XLogP4.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
CID 85296375
5-[(E)-2-[4-[1-(3,5-dihydroxyphenyl)-2-ethoxy-2-(4-hydroxyphenyl)ethoxy]phenyl]ethenyl]benzene-1,3-diol
CID 53465818
(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
CID 102287543
1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
CID 174782098
4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol
CID 87756596
4-[(E)-pent-1-enyl]phenol
CID 15576502
4-(1-ethoxyethyl)phenol
CID 15774870
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-[(E,4R,5R)-6-tert-butyl-5-hydroxy-4,7,7-trimethyloct-1-enyl]phenol
CID 59810678
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol?
The IUPAC name of 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol (CID 11089156) is 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol is CCOC(c1ccc(O)cc1)C(C/C=C/c1ccc(O)cc1)COC.
What is the InChIKey of 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol?
The InChIKey is OYQQRPCWFXPSTN-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H26O4/c1-3-25-21(17-9-13-20(23)14-10-17)18(15-24-2)6-4-5-16-7-11-19(22)12-8-16/h4-5,7-14,18,21-23H,3,6,15H2,1-2H3/b5-4+.
What are the key properties of 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol?
4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol has a molecular weight of 342.44 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol is sourced from PubChem (CID 11089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).