methoxymethyl 4-hydroxybenzoate

C9H10O4 — CID 58114704

IUPACmethoxymethyl 4-hydroxybenzoate
SMILESCOCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-12-6-13-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
InChIKeyXZRGHORRENYUOC-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.15
Rot. Bonds3

About methoxymethyl 4-hydroxybenzoate

methoxymethyl 4-hydroxybenzoate (PubChem CID 58114704) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methoxymethyl 4-hydroxybenzoate.

Molecular Properties

Compound Namemethoxymethyl 4-hydroxybenzoate
PubChem CID58114704
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethoxymethyl 4-hydroxybenzoate
SMILESCOCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-12-6-13-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
InChIKeyXZRGHORRENYUOC-UHFFFAOYSA-N
XLogP1.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxymethyl 4-aminobenzoate
CID 65364414
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
but-2-en-2-yloxymethyl 4-hydroxybenzoate
CID 150947897
propyl 4-hydroxybenzoate
CID 66683808
3-O-[(4-acetylbenzoyl)oxymethyl] 1-O-(methoxymethyl) propanedioate;methane
CID 162105132
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 4-hydroxybenzoate?
The IUPAC name of methoxymethyl 4-hydroxybenzoate (CID 58114704) is methoxymethyl 4-hydroxybenzoate.
What is the SMILES notation for methoxymethyl 4-hydroxybenzoate?
The canonical SMILES for methoxymethyl 4-hydroxybenzoate is COCOC(=O)c1ccc(O)cc1.
What is the InChIKey of methoxymethyl 4-hydroxybenzoate?
The InChIKey is XZRGHORRENYUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-6-13-9(11)7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of methoxymethyl 4-hydroxybenzoate?
methoxymethyl 4-hydroxybenzoate has a molecular weight of 182.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 4-hydroxybenzoate is sourced from PubChem (CID 58114704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).