[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol

C18H20O5 — CID 141151440

IUPAC[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol
SMILESC=Cc1cccc(-c2ccc(OC)c(OC)c2OC)c1OCO
InChIInChI=1S/C18H20O5/c1-5-12-7-6-8-13(16(12)23-11-19)14-9-10-15(20-2)18(22-4)17(14)21-3/h5-10,19H,1,11H2,2-4H3
InChIKeyOYXRGFZETXPAFA-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.35
Rot. Bonds7

About [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol

[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol (PubChem CID 141151440) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol.

Molecular Properties

Compound Name[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol
PubChem CID141151440
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol
SMILESC=Cc1cccc(-c2ccc(OC)c(OC)c2OC)c1OCO
InChIInChI=1S/C18H20O5/c1-5-12-7-6-8-13(16(12)23-11-19)14-9-10-15(20-2)18(22-4)17(14)21-3/h5-10,19H,1,11H2,2-4H3
InChIKeyOYXRGFZETXPAFA-UHFFFAOYSA-N
XLogP3.35
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
1-[2-(2,3,4-trimethoxyphenyl)phenyl]prop-2-en-1-one
CID 118550411
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
1-ethenyl-2-(2-methoxyphenyl)benzene
CID 150139111
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
1-[2-(2,3,4-trimethoxyphenyl)phenyl]ethanone
CID 61033108
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
7-ethenyl-1,2,6-trimethoxynaphthalene
CID 66593812
4-[3-(3-hydroxy-2,2-dimethylpropoxy)-2,4-dimethoxyphenyl]-2,3-dihydroinden-1-one
CID 54578030
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840

Frequently Asked Questions

What is the IUPAC name of [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol?
The IUPAC name of [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol (CID 141151440) is [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol.
What is the SMILES notation for [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol?
The canonical SMILES for [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol is C=Cc1cccc(-c2ccc(OC)c(OC)c2OC)c1OCO.
What is the InChIKey of [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol?
The InChIKey is OYXRGFZETXPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-5-12-7-6-8-13(16(12)23-11-19)14-9-10-15(20-2)18(22-4)17(14)21-3/h5-10,19H,1,11H2,2-4H3.
What are the key properties of [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol?
[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol has a molecular weight of 316.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol is sourced from PubChem (CID 141151440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).