methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate

C11H14O5 — CID 117325019

IUPACmethyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)c(C(C)O)c1
InChIInChI=1S/C11H14O5/c1-6(12)8-4-7(11(14)16-3)5-9(15-2)10(8)13/h4-6,12-13H,1-3H3
InChIKeyRFEUOSSWVMRFPA-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.24
Rot. Bonds3

About methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate

methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate (PubChem CID 117325019) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
PubChem CID117325019
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)c(C(C)O)c1
InChIInChI=1S/C11H14O5/c1-6(12)8-4-7(11(14)16-3)5-9(15-2)10(8)13/h4-6,12-13H,1-3H3
InChIKeyRFEUOSSWVMRFPA-UHFFFAOYSA-N
XLogP1.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-4-hydroxy-5-(1-hydroxyethyl)benzoate
CID 163691960
methyl 4-hydroxy-3-iodo-5-methoxybenzoate
CID 53426739
methyl 3,4,5-tri(propan-2-yl)benzoate
CID 166806924
methyl 4-cyano-3-(difluoromethyl)-5-methoxybenzoate
CID 134646931
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
methyl 3-[1-(aminomethyl)cyclopentyl]-4-hydroxy-5-methoxybenzoate
CID 117447945
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
CID 10040709
3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-2,2-dimethylpropanoic acid
CID 117453460
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate?
The IUPAC name of methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate (CID 117325019) is methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate.
What is the SMILES notation for methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate?
The canonical SMILES for methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate is COC(=O)c1cc(OC)c(O)c(C(C)O)c1.
What is the InChIKey of methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate?
The InChIKey is RFEUOSSWVMRFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6(12)8-4-7(11(14)16-3)5-9(15-2)10(8)13/h4-6,12-13H,1-3H3.
What are the key properties of methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate?
methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate has a molecular weight of 226.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate is sourced from PubChem (CID 117325019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).