[3,4-bis(hydroxymethoxy)phenyl]methanol

C9H12O5 — CID 156779963

IUPAC[3,4-bis(hydroxymethoxy)phenyl]methanol
SMILESOCOc1ccc(CO)cc1OCO
InChIInChI=1S/C9H12O5/c10-4-7-1-2-8(13-5-11)9(3-7)14-6-12/h1-3,10-12H,4-6H2
InChIKeyJALAUMLSOBIGGL-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.16
Rot. Bonds5

About [3,4-bis(hydroxymethoxy)phenyl]methanol

[3,4-bis(hydroxymethoxy)phenyl]methanol (PubChem CID 156779963) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is [3,4-bis(hydroxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,4-bis(hydroxymethoxy)phenyl]methanol
PubChem CID156779963
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name[3,4-bis(hydroxymethoxy)phenyl]methanol
SMILESOCOc1ccc(CO)cc1OCO
InChIInChI=1S/C9H12O5/c10-4-7-1-2-8(13-5-11)9(3-7)14-6-12/h1-3,10-12H,4-6H2
InChIKeyJALAUMLSOBIGGL-UHFFFAOYSA-N
XLogP-0.16
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
[3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 105372050
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(hydroxymethoxy)phenyl]methanol?
The IUPAC name of [3,4-bis(hydroxymethoxy)phenyl]methanol (CID 156779963) is [3,4-bis(hydroxymethoxy)phenyl]methanol.
What is the SMILES notation for [3,4-bis(hydroxymethoxy)phenyl]methanol?
The canonical SMILES for [3,4-bis(hydroxymethoxy)phenyl]methanol is OCOc1ccc(CO)cc1OCO.
What is the InChIKey of [3,4-bis(hydroxymethoxy)phenyl]methanol?
The InChIKey is JALAUMLSOBIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c10-4-7-1-2-8(13-5-11)9(3-7)14-6-12/h1-3,10-12H,4-6H2.
What are the key properties of [3,4-bis(hydroxymethoxy)phenyl]methanol?
[3,4-bis(hydroxymethoxy)phenyl]methanol has a molecular weight of 200.19 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(hydroxymethoxy)phenyl]methanol is sourced from PubChem (CID 156779963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).