2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol

C18H20O5 — CID 123931349

IUPAC2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
SMILESCOc1cc(C=Cc2ccc(O)c(CO)c2)cc(CO)c1OC
InChIInChI=1S/C18H20O5/c1-22-17-9-13(8-15(11-20)18(17)23-2)4-3-12-5-6-16(21)14(7-12)10-19/h3-9,19-21H,10-11H2,1-2H3
InChIKeyIZBJFEAYMICZEB-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.56
Rot. Bonds6

About 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol

2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol (PubChem CID 123931349) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
PubChem CID123931349
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
SMILESCOc1cc(C=Cc2ccc(O)c(CO)c2)cc(CO)c1OC
InChIInChI=1S/C18H20O5/c1-22-17-9-13(8-15(11-20)18(17)23-2)4-3-12-5-6-16(21)14(7-12)10-19/h3-9,19-21H,10-11H2,1-2H3
InChIKeyIZBJFEAYMICZEB-UHFFFAOYSA-N
XLogP2.56
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
CID 89269608
5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
CID 121295383
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
(5-ethenyl-2,3-dimethoxyphenyl)methanol
CID 170419069
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
[2-(hydroxymethyl)-3-methoxy-5-[(Z)-2-(4-methoxy-3-methylphenyl)ethenyl]phenyl]methanol
CID 58173633
[5-[(E)-2-[4-[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-3-(hydroxymethyl)-2-propan-2-yloxyphenyl]methanol
CID 58325751
(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 118722821
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
1-(2-chloro-4-hydroxy-3-methoxyphenyl)-5-[4-hydroxy-3-(hydroxymethyl)phenyl]penta-1,4-dien-3-one
CID 123470022
[5-[(Z)-2-(3-hydroxy-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44584265

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol (CID 123931349) is 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol is COc1cc(C=Cc2ccc(O)c(CO)c2)cc(CO)c1OC.
What is the InChIKey of 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol?
The InChIKey is IZBJFEAYMICZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-22-17-9-13(8-15(11-20)18(17)23-2)4-3-12-5-6-16(21)14(7-12)10-19/h3-9,19-21H,10-11H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol?
2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol has a molecular weight of 316.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol is sourced from PubChem (CID 123931349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).