methyl 3-hydroxy-2-propan-2-yloxybenzoate

C11H14O4 — CID 69409235

IUPACmethyl 3-hydroxy-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1cccc(O)c1OC(C)C
InChIInChI=1S/C11H14O4/c1-7(2)15-10-8(11(13)14-3)5-4-6-9(10)12/h4-7,12H,1-3H3
InChIKeyQMTVNSNSRCXJPJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.97
Rot. Bonds3

About methyl 3-hydroxy-2-propan-2-yloxybenzoate

methyl 3-hydroxy-2-propan-2-yloxybenzoate (PubChem CID 69409235) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-propan-2-yloxybenzoate
PubChem CID69409235
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-hydroxy-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1cccc(O)c1OC(C)C
InChIInChI=1S/C11H14O4/c1-7(2)15-10-8(11(13)14-3)5-4-6-9(10)12/h4-7,12H,1-3H3
InChIKeyQMTVNSNSRCXJPJ-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyano-2-propan-2-yloxybenzoate
CID 134655755
methyl 2-benzoyloxy-3-hydroxybenzoate
CID 68781973
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 2-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)benzoate
CID 14737844
methyl 3-amino-2-(3-methylbutan-2-yloxy)benzoate
CID 112579913
methyl 3-hydroxy-2-tetradecoxybenzoate
CID 19014178
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
CID 141135963
methyl 2-hydroxybenzoate;urea
CID 174888687

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-hydroxy-2-propan-2-yloxybenzoate (CID 69409235) is methyl 3-hydroxy-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-hydroxy-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-hydroxy-2-propan-2-yloxybenzoate is COC(=O)c1cccc(O)c1OC(C)C.
What is the InChIKey of methyl 3-hydroxy-2-propan-2-yloxybenzoate?
The InChIKey is QMTVNSNSRCXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(2)15-10-8(11(13)14-3)5-4-6-9(10)12/h4-7,12H,1-3H3.
What are the key properties of methyl 3-hydroxy-2-propan-2-yloxybenzoate?
methyl 3-hydroxy-2-propan-2-yloxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-propan-2-yloxybenzoate is sourced from PubChem (CID 69409235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).