3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol

C11H14O4 — CID 170566550

IUPAC3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol
SMILESCOc1cc(O)cc(O[C@H]2CCOC2)c1
InChIInChI=1S/C11H14O4/c1-13-10-4-8(12)5-11(6-10)15-9-2-3-14-7-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1
InChIKeyVIKYEVYNDHZWQH-VIFPVBQESA-N
MW210.23 g/mol
LogP1.57
Rot. Bonds3

About 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol

3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol (PubChem CID 170566550) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol.

Molecular Properties

Compound Name3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol
PubChem CID170566550
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol
SMILESCOc1cc(O)cc(O[C@H]2CCOC2)c1
InChIInChI=1S/C11H14O4/c1-13-10-4-8(12)5-11(6-10)15-9-2-3-14-7-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1
InChIKeyVIKYEVYNDHZWQH-VIFPVBQESA-N
XLogP1.57
TPSA47.92 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511891
(3R)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511904
[3-methoxy-5-(oxolan-3-yloxy)phenyl]methanamine
CID 103565975
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371
2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117345312
(3R)-3-(4-bromo-3,5-dimethylphenoxy)oxolane;(3S)-oxolan-3-ol
CID 159598588
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 59127124
3,5-dicyclohexyloxyphenol
CID 21489857
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
CID 177196861
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol?
The IUPAC name of 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol (CID 170566550) is 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol.
What is the SMILES notation for 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol?
The canonical SMILES for 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol is COc1cc(O)cc(O[C@H]2CCOC2)c1.
What is the InChIKey of 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol?
The InChIKey is VIKYEVYNDHZWQH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O4/c1-13-10-4-8(12)5-11(6-10)15-9-2-3-14-7-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1.
What are the key properties of 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol?
3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol has a molecular weight of 210.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol is sourced from PubChem (CID 170566550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).