[4-(hydroxymethyl)phenoxy]methyl formate

C9H10O4 — CID 155618940

IUPAC[4-(hydroxymethyl)phenoxy]methyl formate
SMILESO=COCOc1ccc(CO)cc1
InChIInChI=1S/C9H10O4/c10-5-8-1-3-9(4-2-8)13-7-12-6-11/h1-4,6,10H,5,7H2
InChIKeyQRXJEAIMLAYLCM-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.69
Rot. Bonds5

About [4-(hydroxymethyl)phenoxy]methyl formate

[4-(hydroxymethyl)phenoxy]methyl formate (PubChem CID 155618940) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenoxy]methyl formate.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenoxy]methyl formate
PubChem CID155618940
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name[4-(hydroxymethyl)phenoxy]methyl formate
SMILESO=COCOc1ccc(CO)cc1
InChIInChI=1S/C9H10O4/c10-5-8-1-3-9(4-2-8)13-7-12-6-11/h1-4,6,10H,5,7H2
InChIKeyQRXJEAIMLAYLCM-UHFFFAOYSA-N
XLogP0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(hydroxymethyl)phenoxy]methyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
ethane;[4-(ethoxymethyl)phenoxy]methyl formate
CID 155685271
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
[4-(formyloxymethyl)phenyl]methyl formate;[4-(hydroxymethyl)phenyl]methanol;molecular hydrogen
CID 158556157
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
(4-ethenoxyphenyl)methanol
CID 11159400
[4-(hydroxymethyl)phenyl] nitrite
CID 175925378
pyridin-3-yloxymethyl formate
CID 89313948
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenoxy]methyl formate?
The IUPAC name of [4-(hydroxymethyl)phenoxy]methyl formate (CID 155618940) is [4-(hydroxymethyl)phenoxy]methyl formate.
What is the SMILES notation for [4-(hydroxymethyl)phenoxy]methyl formate?
The canonical SMILES for [4-(hydroxymethyl)phenoxy]methyl formate is O=COCOc1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenoxy]methyl formate?
The InChIKey is QRXJEAIMLAYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-5-8-1-3-9(4-2-8)13-7-12-6-11/h1-4,6,10H,5,7H2.
What are the key properties of [4-(hydroxymethyl)phenoxy]methyl formate?
[4-(hydroxymethyl)phenoxy]methyl formate has a molecular weight of 182.17 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenoxy]methyl formate is sourced from PubChem (CID 155618940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).