methyl 2-hydroxy-5-prop-2-ynoxybenzoate

C11H10O4 — CID 10081702

IUPACmethyl 2-hydroxy-5-prop-2-ynoxybenzoate
SMILESC#CCOc1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C11H10O4/c1-3-6-15-8-4-5-10(12)9(7-8)11(13)14-2/h1,4-5,7,12H,6H2,2H3
InChIKeyNYSBGIRCJZXKQI-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.19
Rot. Bonds3

About methyl 2-hydroxy-5-prop-2-ynoxybenzoate

methyl 2-hydroxy-5-prop-2-ynoxybenzoate (PubChem CID 10081702) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-hydroxy-5-prop-2-ynoxybenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-prop-2-ynoxybenzoate
PubChem CID10081702
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 2-hydroxy-5-prop-2-ynoxybenzoate
SMILESC#CCOc1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C11H10O4/c1-3-6-15-8-4-5-10(12)9(7-8)11(13)14-2/h1,4-5,7,12H,6H2,2H3
InChIKeyNYSBGIRCJZXKQI-UHFFFAOYSA-N
XLogP1.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(bromomethyl)-4-prop-2-ynoxybenzoate
CID 156508031
methyl 5-decoxy-2-hydroxybenzoate
CID 54520476
methyl 3,5-bis(prop-2-ynoxy)benzoate
CID 3566176
2-ethoxycarbonyl-5-prop-2-ynoxybenzoic acid
CID 87472600
methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
CID 15532242
methyl 2-hydroxy-5-(3-hydroxyprop-1-ynyl)benzoate
CID 169485432
methyl 2-oxo-2-(5-prop-2-ynoxy-1H-indol-3-yl)acetate
CID 15505469
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
(E)-1-(2-hydroxy-4-prop-2-ynoxyphenyl)-3-phenylprop-2-en-1-one
CID 118737996
methyl 5-cyano-2-hydroxybenzoate
CID 10583428
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-prop-2-ynoxybenzoate?
The IUPAC name of methyl 2-hydroxy-5-prop-2-ynoxybenzoate (CID 10081702) is methyl 2-hydroxy-5-prop-2-ynoxybenzoate.
What is the SMILES notation for methyl 2-hydroxy-5-prop-2-ynoxybenzoate?
The canonical SMILES for methyl 2-hydroxy-5-prop-2-ynoxybenzoate is C#CCOc1ccc(O)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-hydroxy-5-prop-2-ynoxybenzoate?
The InChIKey is NYSBGIRCJZXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-3-6-15-8-4-5-10(12)9(7-8)11(13)14-2/h1,4-5,7,12H,6H2,2H3.
What are the key properties of methyl 2-hydroxy-5-prop-2-ynoxybenzoate?
methyl 2-hydroxy-5-prop-2-ynoxybenzoate has a molecular weight of 206.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-prop-2-ynoxybenzoate is sourced from PubChem (CID 10081702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).