4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol

C18H20O4 — CID 122643932

IUPAC4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
SMILESCOc1cc(C/C=C/Cc2ccc(O)c(CO)c2)ccc1O
InChIInChI=1S/C18H20O4/c1-22-18-11-14(7-9-17(18)21)5-3-2-4-13-6-8-16(20)15(10-13)12-19/h2-3,6-11,19-21H,4-5,12H2,1H3/b3-2+
InChIKeyGTCXWULUVPPUID-NSCUHMNNSA-N
MW300.35 g/mol
LogP2.94
Rot. Bonds6

About 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol

4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol (PubChem CID 122643932) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
PubChem CID122643932
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
SMILESCOc1cc(C/C=C/Cc2ccc(O)c(CO)c2)ccc1O
InChIInChI=1S/C18H20O4/c1-22-18-11-14(7-9-17(18)21)5-3-2-4-13-6-8-16(20)15(10-13)12-19/h2-3,6-11,19-21H,4-5,12H2,1H3/b3-2+
InChIKeyGTCXWULUVPPUID-NSCUHMNNSA-N
XLogP2.94
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
CID 59163577
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
(1E,4E)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,4-dien-3-one
CID 121289546
4-[3-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
CID 167345070
dimethylsilyloxy(dimethyl)silane;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol;2-(hydroxymethyl)-4-prop-2-enylphenol
CID 158146614
2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
CID 70503529
2-methoxy-4-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]phenol
CID 71763133
4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 90277082
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
CID 70230717
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol (CID 122643932) is 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol is COc1cc(C/C=C/Cc2ccc(O)c(CO)c2)ccc1O.
What is the InChIKey of 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol?
The InChIKey is GTCXWULUVPPUID-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H20O4/c1-22-18-11-14(7-9-17(18)21)5-3-2-4-13-6-8-16(20)15(10-13)12-19/h2-3,6-11,19-21H,4-5,12H2,1H3/b3-2+.
What are the key properties of 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol?
4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol has a molecular weight of 300.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 122643932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).