methyl 3-hydroxy-5-(hydroxymethoxy)benzoate

C9H10O5 — CID 143054476

IUPACmethyl 3-hydroxy-5-(hydroxymethoxy)benzoate
SMILESCOC(=O)c1cc(O)cc(OCO)c1
InChIInChI=1S/C9H10O5/c1-13-9(12)6-2-7(11)4-8(3-6)14-5-10/h2-4,10-11H,5H2,1H3
InChIKeyOUBCGRFUXCXLQH-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.51
Rot. Bonds3

About methyl 3-hydroxy-5-(hydroxymethoxy)benzoate

methyl 3-hydroxy-5-(hydroxymethoxy)benzoate (PubChem CID 143054476) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(hydroxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(hydroxymethoxy)benzoate
PubChem CID143054476
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namemethyl 3-hydroxy-5-(hydroxymethoxy)benzoate
SMILESCOC(=O)c1cc(O)cc(OCO)c1
InChIInChI=1S/C9H10O5/c1-13-9(12)6-2-7(11)4-8(3-6)14-5-10/h2-4,10-11H,5H2,1H3
InChIKeyOUBCGRFUXCXLQH-UHFFFAOYSA-N
XLogP0.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
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

methyl 3-hydroxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 11324372
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
CID 21074228
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
methyl 3-hydroxy-5-(4-methylphenoxy)benzoate
CID 142720268
methyl 3-carbonochloridoyl-5-hydroxybenzoate
CID 45081214
methyl 3-[2-(5-aminopentylamino)-2-oxoethoxy]-5-hydroxybenzoate
CID 59004835
methyl 3-hydroxy-5-sulfanylbenzoate
CID 21364998
methyl 3,5-bis(2-chloroethoxy)benzoate
CID 100923076
methyl 3,5-bis(2-fluoroethoxy)benzoate
CID 86609559
dimethyl 5-(cyanomethoxy)benzene-1,3-dicarboxylate
CID 8536461

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(hydroxymethoxy)benzoate?
The IUPAC name of methyl 3-hydroxy-5-(hydroxymethoxy)benzoate (CID 143054476) is methyl 3-hydroxy-5-(hydroxymethoxy)benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-(hydroxymethoxy)benzoate?
The canonical SMILES for methyl 3-hydroxy-5-(hydroxymethoxy)benzoate is COC(=O)c1cc(O)cc(OCO)c1.
What is the InChIKey of methyl 3-hydroxy-5-(hydroxymethoxy)benzoate?
The InChIKey is OUBCGRFUXCXLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-9(12)6-2-7(11)4-8(3-6)14-5-10/h2-4,10-11H,5H2,1H3.
What are the key properties of methyl 3-hydroxy-5-(hydroxymethoxy)benzoate?
methyl 3-hydroxy-5-(hydroxymethoxy)benzoate has a molecular weight of 198.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(hydroxymethoxy)benzoate is sourced from PubChem (CID 143054476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).