4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol

C17H20O5 — CID 163040674

IUPAC4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C(Cc2cccc(O)c2)OC)cc(OC)c1O
InChIInChI=1S/C17H20O5/c1-20-14(8-11-5-4-6-13(18)7-11)12-9-15(21-2)17(19)16(10-12)22-3/h4-7,9-10,14,18-19H,8H2,1-3H3
InChIKeyGKISNGFSEYDNCG-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.05
Rot. Bonds6

About 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol

4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol (PubChem CID 163040674) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol
PubChem CID163040674
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C(Cc2cccc(O)c2)OC)cc(OC)c1O
InChIInChI=1S/C17H20O5/c1-20-14(8-11-5-4-6-13(18)7-11)12-9-15(21-2)17(19)16(10-12)22-3/h4-7,9-10,14,18-19H,8H2,1-3H3
InChIKeyGKISNGFSEYDNCG-UHFFFAOYSA-N
XLogP3.05
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[3-[2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]phenoxy]phenyl]-1-methoxyethyl]-3-methoxybenzene-1,2-diol
CID 10006248
3-(3-hydroxyphenyl)-2-methoxypropanal
CID 105438620
N'-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2-iodo-4,5-dimethoxybenzohydrazide
CID 143304720
3-(2-sulfanylpropyl)phenol
CID 115013475
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
CID 155387777
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol (CID 163040674) is 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol is COc1cc(C(Cc2cccc(O)c2)OC)cc(OC)c1O.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol?
The InChIKey is GKISNGFSEYDNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-20-14(8-11-5-4-6-13(18)7-11)12-9-15(21-2)17(19)16(10-12)22-3/h4-7,9-10,14,18-19H,8H2,1-3H3.
What are the key properties of 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol?
4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol has a molecular weight of 304.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 163040674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).