3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol

C23H22O4 — CID 143202210

IUPAC3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol
SMILESCOc1cccc(/C=C(/COc2cc(O)ccc2C)c2ccc(O)cc2)c1
InChIInChI=1S/C23H22O4/c1-16-6-9-21(25)14-23(16)27-15-19(18-7-10-20(24)11-8-18)12-17-4-3-5-22(13-17)26-2/h3-14,24-25H,15H2,1-2H3/b19-12-
InChIKeyMFOXFHKEGAVABH-UNOMPAQXSA-N
MW362.43 g/mol
LogP5.03
Rot. Bonds6

About 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol

3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol (PubChem CID 143202210) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol
PubChem CID143202210
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol
SMILESCOc1cccc(/C=C(/COc2cc(O)ccc2C)c2ccc(O)cc2)c1
InChIInChI=1S/C23H22O4/c1-16-6-9-21(25)14-23(16)27-15-19(18-7-10-20(24)11-8-18)12-17-4-3-5-22(13-17)26-2/h3-14,24-25H,15H2,1-2H3/b19-12-
InChIKeyMFOXFHKEGAVABH-UNOMPAQXSA-N
XLogP5.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxyphenyl)-3-(methylamino)prop-1-enyl]phenol
CID 70351351
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
[3-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 39115578
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
CID 172528523
1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
CID 20530618
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol
CID 91418793
sodium 3-methoxyphenol
CID 19079440
ethane;3-methoxyphenol
CID 142018283

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol?
The IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol (CID 143202210) is 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol.
What is the SMILES notation for 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol?
The canonical SMILES for 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol is COc1cccc(/C=C(/COc2cc(O)ccc2C)c2ccc(O)cc2)c1.
What is the InChIKey of 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol?
The InChIKey is MFOXFHKEGAVABH-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H22O4/c1-16-6-9-21(25)14-23(16)27-15-19(18-7-10-20(24)11-8-18)12-17-4-3-5-22(13-17)26-2/h3-14,24-25H,15H2,1-2H3/b19-12-.
What are the key properties of 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol?
3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol has a molecular weight of 362.43 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxyphenyl)-3-(3-methoxyphenyl)prop-2-enoxy]-4-methylphenol is sourced from PubChem (CID 143202210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).