[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol

C12H16O4 — CID 101326376

IUPAC[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol
SMILESC=CCOc1cc(CO)cc(CO)c1CO
InChIInChI=1S/C12H16O4/c1-2-3-16-12-5-9(6-13)4-10(7-14)11(12)8-15/h2,4-5,13-15H,1,3,6-8H2
InChIKeyKWZWFOUSTDVEBI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.73
Rot. Bonds6

About [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol

[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol (PubChem CID 101326376) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol.

Molecular Properties

Compound Name[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol
PubChem CID101326376
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol
SMILESC=CCOc1cc(CO)cc(CO)c1CO
InChIInChI=1S/C12H16O4/c1-2-3-16-12-5-9(6-13)4-10(7-14)11(12)8-15/h2,4-5,13-15H,1,3,6-8H2
InChIKeyKWZWFOUSTDVEBI-UHFFFAOYSA-N
XLogP0.73
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
CID 101326378
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
(2-prop-2-enoxyphenyl)methanol
CID 11137475
4-(hydroxymethyl)-2-prop-2-enoxybenzoic acid
CID 58818400
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
ethane;(3-fluoro-5-prop-2-enoxyphenyl)methanol
CID 144723100
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126116692
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
2,4-bis(chloromethyl)-1-prop-2-enoxybenzene
CID 71378688
(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126123356

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol?
The IUPAC name of [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol (CID 101326376) is [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol.
What is the SMILES notation for [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol?
The canonical SMILES for [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol is C=CCOc1cc(CO)cc(CO)c1CO.
What is the InChIKey of [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol?
The InChIKey is KWZWFOUSTDVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-3-16-12-5-9(6-13)4-10(7-14)11(12)8-15/h2,4-5,13-15H,1,3,6-8H2.
What are the key properties of [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol?
[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol has a molecular weight of 224.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol is sourced from PubChem (CID 101326376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).