4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol

C9H12O5 — CID 149144682

IUPAC4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
SMILESCOc1cc(CO)c(O)c(OC)c1O
InChIInChI=1S/C9H12O5/c1-13-6-3-5(4-10)7(11)9(14-2)8(6)12/h3,10-12H,4H2,1-2H3
InChIKeyRJPQDCOGINEPEB-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.61
Rot. Bonds3

About 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol

4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol (PubChem CID 149144682) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
PubChem CID149144682
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
SMILESCOc1cc(CO)c(O)c(OC)c1O
InChIInChI=1S/C9H12O5/c1-13-6-3-5(4-10)7(11)9(14-2)8(6)12/h3,10-12H,4H2,1-2H3
InChIKeyRJPQDCOGINEPEB-UHFFFAOYSA-N
XLogP0.61
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
CID 70503529
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
2,4-dimethoxynaphthalen-1-ol
CID 12563547

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol?
The IUPAC name of 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol (CID 149144682) is 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol.
What is the SMILES notation for 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol?
The canonical SMILES for 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol is COc1cc(CO)c(O)c(OC)c1O.
What is the InChIKey of 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol?
The InChIKey is RJPQDCOGINEPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-13-6-3-5(4-10)7(11)9(14-2)8(6)12/h3,10-12H,4H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol?
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol has a molecular weight of 200.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol is sourced from PubChem (CID 149144682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).