[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol

C11H16O5 — CID 71399833

IUPAC[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
SMILESCOc1cc(CO)c(CO)c(OC)c1OC
InChIInChI=1S/C11H16O5/c1-14-9-4-7(5-12)8(6-13)10(15-2)11(9)16-3/h4,12-13H,5-6H2,1-3H3
InChIKeyRVXRHTANUORMLI-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.70
Rot. Bonds5

About [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol

[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol (PubChem CID 71399833) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
PubChem CID71399833
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
SMILESCOc1cc(CO)c(CO)c(OC)c1OC
InChIInChI=1S/C11H16O5/c1-14-9-4-7(5-12)8(6-13)10(15-2)11(9)16-3/h4,12-13H,5-6H2,1-3H3
InChIKeyRVXRHTANUORMLI-UHFFFAOYSA-N
XLogP0.70
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(hydroxymethyl)-4',5',6',7-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl]methanol
CID 158471332
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 160859326
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
CID 71104274
[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
CID 90759523
(1,4-dimethoxy-3-methylsulfanylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 159541099
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
1,2,3-trimethoxy-5-(methoxymethyl)-4-(methylsulfonylmethyl)benzene
CID 14261269

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol (CID 71399833) is [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol is COc1cc(CO)c(CO)c(OC)c1OC.
What is the InChIKey of [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol?
The InChIKey is RVXRHTANUORMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-14-9-4-7(5-12)8(6-13)10(15-2)11(9)16-3/h4,12-13H,5-6H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol?
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol has a molecular weight of 228.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol is sourced from PubChem (CID 71399833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).