sodium;hydride;(4-hydroxyphenyl)methyl formate

C8H9NaO3 — CID 173269022

IUPACsodium;hydride;(4-hydroxyphenyl)methyl formate
SMILESO=COCc1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C8H8O3.Na.H/c9-6-11-5-7-1-3-8(10)4-2-7;;/h1-4,6,10H,5H2;;/q;+1;-1
InChIKeyIUCMQDLGNHLJLC-UHFFFAOYSA-N
MW176.15 g/mol
LogP-1.82
Rot. Bonds3

About sodium;hydride;(4-hydroxyphenyl)methyl formate

sodium;hydride;(4-hydroxyphenyl)methyl formate (PubChem CID 173269022) has the molecular formula C8H9NaO3 and a molecular weight of 176.15 g/mol. Its IUPAC name is sodium;hydride;(4-hydroxyphenyl)methyl formate.

Molecular Properties

Compound Namesodium;hydride;(4-hydroxyphenyl)methyl formate
PubChem CID173269022
Molecular FormulaC8H9NaO3
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Namesodium;hydride;(4-hydroxyphenyl)methyl formate
SMILESO=COCc1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C8H8O3.Na.H/c9-6-11-5-7-1-3-8(10)4-2-7;;/h1-4,6,10H,5H2;;/q;+1;-1
InChIKeyIUCMQDLGNHLJLC-UHFFFAOYSA-N
XLogP-1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 5-1.82
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

[4-(formyloxymethyl)phenyl]methyl formate;[4-(hydroxymethyl)phenyl]methanol;molecular hydrogen
CID 158556157
(4-phosphanylphenyl)methyl formate
CID 91097019
[4-(ethenoxymethyl)phenyl]methyl formate
CID 139924907
(4-cyanophenyl)methyl formate
CID 18398424
(4-hydroxyphenyl)methyl hydrogen carbonate
CID 19956654
[4-(trifluoromethylsulfanyl)phenyl]methyl formate
CID 87851581
[4-(1-fluorocyclopropyl)phenyl]methyl formate
CID 171720322
(3,4-difluorophenyl)methyl formate
CID 87852383
disodium;benzene-1,4-diol;hydride
CID 173178650
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
CID 155030194
[4-(formyloxymethyl)phenyl]methyl 4-acetyloxybutanoate
CID 140743476

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(4-hydroxyphenyl)methyl formate?
The IUPAC name of sodium;hydride;(4-hydroxyphenyl)methyl formate (CID 173269022) is sodium;hydride;(4-hydroxyphenyl)methyl formate.
What is the SMILES notation for sodium;hydride;(4-hydroxyphenyl)methyl formate?
The canonical SMILES for sodium;hydride;(4-hydroxyphenyl)methyl formate is O=COCc1ccc(O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(4-hydroxyphenyl)methyl formate?
The InChIKey is IUCMQDLGNHLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.Na.H/c9-6-11-5-7-1-3-8(10)4-2-7;;/h1-4,6,10H,5H2;;/q;+1;-1.
What are the key properties of sodium;hydride;(4-hydroxyphenyl)methyl formate?
sodium;hydride;(4-hydroxyphenyl)methyl formate has a molecular weight of 176.15 g/mol, XLogP of -1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(4-hydroxyphenyl)methyl formate is sourced from PubChem (CID 173269022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).