2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

C24H20O6 — CID 23538665

IUPAC2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESC=CC#COc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O
InChIInChI=1S/C24H20O6/c1-4-5-12-30-20-11-8-16(13-19(20)26)22-21(28-2)14-18(24(29-3)23(22)27)15-6-9-17(25)10-7-15/h4,6-11,13-14,25-27H,1H2,2-3H3
InChIKeyAVZVEZGUFSEXMI-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol

2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (PubChem CID 23538665) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.

Molecular Properties

Compound Name2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
PubChem CID23538665
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
SMILESC=CC#COc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O
InChIInChI=1S/C24H20O6/c1-4-5-12-30-20-11-8-16(13-19(20)26)22-21(28-2)14-18(24(29-3)23(22)27)15-6-9-17(25)10-7-15/h4,6-11,13-14,25-27H,1H2,2-3H3
InChIKeyAVZVEZGUFSEXMI-UHFFFAOYSA-N
XLogP4.68
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-buta-2,3-dienoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538669
2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23539246
2-[3-hydroxy-4-(3-methylbut-3-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538412
2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538420
2-[4-[(Z)-4-chlorobut-2-enoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 58666110
2-[4-(4-chloropent-4-en-2-ynoxy)-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538538
2-[3-hydroxy-4-(3-methylbutoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538433
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539239
2-[3-hydroxy-4-[(3-methylpyrazin-2-yl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538414
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539224
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539231
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(3-pyridin-2-ylprop-2-ynoxy)phenyl]-3,6-dimethoxyphenol
CID 23539233

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The IUPAC name of 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol (CID 23538665) is 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol.
What is the SMILES notation for 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The canonical SMILES for 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is C=CC#COc1ccc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)cc1O.
What is the InChIKey of 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
The InChIKey is AVZVEZGUFSEXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-4-5-12-30-20-11-8-16(13-19(20)26)22-21(28-2)14-18(24(29-3)23(22)27)15-6-9-17(25)10-7-15/h4,6-11,13-14,25-27H,1H2,2-3H3.
What are the key properties of 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol?
2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol has a molecular weight of 404.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-en-1-ynoxy-3-hydroxyphenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol is sourced from PubChem (CID 23538665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).