[2-(hydroxymethyl)phenyl] formate

C8H8O3 — CID 54203489

IUPAC[2-(hydroxymethyl)phenyl] formate
SMILESO=COc1ccccc1CO
InChIInChI=1S/C8H8O3/c9-5-7-3-1-2-4-8(7)11-6-10/h1-4,6,9H,5H2
InChIKeyUAOGUDWFQMASCC-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.71
Rot. Bonds3

About [2-(hydroxymethyl)phenyl] formate

[2-(hydroxymethyl)phenyl] formate (PubChem CID 54203489) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenyl] formate.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenyl] formate
PubChem CID54203489
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name[2-(hydroxymethyl)phenyl] formate
SMILESO=COc1ccccc1CO
InChIInChI=1S/C8H8O3/c9-5-7-3-1-2-4-8(7)11-6-10/h1-4,6,9H,5H2
InChIKeyUAOGUDWFQMASCC-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-benzylphenyl) formate
CID 146231957
(2-propylphenyl) formate
CID 54498769
[2-(2-methylprop-1-enoxy)phenyl]methanol
CID 121219203
(2-(111C)methoxyphenyl)methanol
CID 59897789
(2-heptylphenyl) formate
CID 141284661
(2-prop-2-enoxyphenyl)methanol
CID 11137475
[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
CID 87520334
2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844
[2-(2,2-dichloroethenoxy)phenyl]methyl formate
CID 173450979
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
(E)-4-[2-(hydroxymethyl)phenoxy]but-2-enoic acid
CID 63653773

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)phenyl] formate?
The IUPAC name of [2-(hydroxymethyl)phenyl] formate (CID 54203489) is [2-(hydroxymethyl)phenyl] formate.
What is the SMILES notation for [2-(hydroxymethyl)phenyl] formate?
The canonical SMILES for [2-(hydroxymethyl)phenyl] formate is O=COc1ccccc1CO.
What is the InChIKey of [2-(hydroxymethyl)phenyl] formate?
The InChIKey is UAOGUDWFQMASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-5-7-3-1-2-4-8(7)11-6-10/h1-4,6,9H,5H2.
What are the key properties of [2-(hydroxymethyl)phenyl] formate?
[2-(hydroxymethyl)phenyl] formate has a molecular weight of 152.15 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenyl] formate is sourced from PubChem (CID 54203489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).