methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate

C12H14O5 — CID 66746226

IUPACmethyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
SMILESCOC(=O)c1c(O)cccc1O[C@@H]1CCOC1
InChIInChI=1S/C12H14O5/c1-15-12(14)11-9(13)3-2-4-10(11)17-8-5-6-16-7-8/h2-4,8,13H,5-7H2,1H3/t8-/m1/s1
InChIKeyHZJJACIDBLNOAP-MRVPVSSYSA-N
MW238.24 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate

methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate (PubChem CID 66746226) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
PubChem CID66746226
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
SMILESCOC(=O)c1c(O)cccc1O[C@@H]1CCOC1
InChIInChI=1S/C12H14O5/c1-15-12(14)11-9(13)3-2-4-10(11)17-8-5-6-16-7-8/h2-4,8,13H,5-7H2,1H3/t8-/m1/s1
InChIKeyHZJJACIDBLNOAP-MRVPVSSYSA-N
XLogP1.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
2-(oxolan-3-yloxy)benzamide
CID 68643948
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
CID 96542046
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
methyl 2-amino-4-methoxy-5-(oxolan-3-yloxy)benzoate
CID 167227648
methyl 2-fluorooxy-6-hydroxybenzoate
CID 163376786
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate?
The IUPAC name of methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate (CID 66746226) is methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate.
What is the SMILES notation for methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate?
The canonical SMILES for methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate is COC(=O)c1c(O)cccc1O[C@@H]1CCOC1.
What is the InChIKey of methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate?
The InChIKey is HZJJACIDBLNOAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14O5/c1-15-12(14)11-9(13)3-2-4-10(11)17-8-5-6-16-7-8/h2-4,8,13H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate?
methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate has a molecular weight of 238.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate is sourced from PubChem (CID 66746226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).