[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol

C10H14O4 — CID 90759523

IUPAC[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(CO)c(CO)c1
InChIInChI=1S/C10H14O4/c1-14-9-2-7(4-11)10(6-13)8(3-9)5-12/h2-3,11-13H,4-6H2,1H3
InChIKeyPOGLAEOFYLQTMS-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.17
Rot. Bonds4

About [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol

[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol (PubChem CID 90759523) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
PubChem CID90759523
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(CO)c(CO)c1
InChIInChI=1S/C10H14O4/c1-14-9-2-7(4-11)10(6-13)8(3-9)5-12/h2-3,11-13H,4-6H2,1H3
InChIKeyPOGLAEOFYLQTMS-UHFFFAOYSA-N
XLogP0.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dibromo-5-methoxyphenyl)methanol
CID 171002427
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
(2-chloro-3-iodo-5-methoxyphenyl)methanol
CID 171003289
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
CID 130036156
3-(hydroxymethyl)-5-methoxy-2-methylbenzoic acid
CID 141349379
2-(hydroxymethyl)-6-iodo-4-methoxybenzonitrile
CID 131284232
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
CID 131001186
bis[2-(hydroxymethyl)-4,6-dimethoxyphenyl]-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-methylphosphanium
CID 140870637
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol?
The IUPAC name of [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol (CID 90759523) is [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol.
What is the SMILES notation for [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol?
The canonical SMILES for [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol is COc1cc(CO)c(CO)c(CO)c1.
What is the InChIKey of [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol?
The InChIKey is POGLAEOFYLQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-14-9-2-7(4-11)10(6-13)8(3-9)5-12/h2-3,11-13H,4-6H2,1H3.
What are the key properties of [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol?
[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol has a molecular weight of 198.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol is sourced from PubChem (CID 90759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).