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

C12H16O4 — CID 101326378

IUPAC[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
SMILESC=CCOc1cc(CO)c(CO)cc1CO
InChIInChI=1S/C12H16O4/c1-2-3-16-12-5-10(7-14)9(6-13)4-11(12)8-15/h2,4-5,13-15H,1,3,6-8H2
InChIKeyFTDXVDOJFNTCKY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.73
Rot. Bonds6

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

[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol (PubChem CID 101326378) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol.

Molecular Properties

Compound Name[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
PubChem CID101326378
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
SMILESC=CCOc1cc(CO)c(CO)cc1CO
InChIInChI=1S/C12H16O4/c1-2-3-16-12-5-10(7-14)9(6-13)4-11(12)8-15/h2,4-5,13-15H,1,3,6-8H2
InChIKeyFTDXVDOJFNTCKY-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-prop-2-enoxyphenyl)methanol
CID 11137475
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
[3,4-bis(hydroxymethyl)-5-prop-2-enoxyphenyl]methanol
CID 101326376
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
ethane;(4-fluoro-5-prop-2-enoxy-1H-indazol-7-yl)methanol
CID 171106825
4-ethyl-3-prop-2-enoxyphenol
CID 18512145
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
1-chloro-4-prop-2-enoxynaphthalen-2-ol
CID 12672908
1-prop-2-enoxyanthracene
CID 141089148

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol?
The IUPAC name of [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol (CID 101326378) is [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol.
What is the SMILES notation for [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol?
The canonical SMILES for [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol is C=CCOc1cc(CO)c(CO)cc1CO.
What is the InChIKey of [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol?
The InChIKey is FTDXVDOJFNTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-3-16-12-5-10(7-14)9(6-13)4-11(12)8-15/h2,4-5,13-15H,1,3,6-8H2.
What are the key properties of [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol?
[2,5-bis(hydroxymethyl)-4-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 [2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol is sourced from PubChem (CID 101326378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).