[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol

C14H20O4 — CID 99717398

IUPAC[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
SMILESCCOc1ccc(O[C@@H]2CCCCO2)cc1CO
InChIInChI=1S/C14H20O4/c1-2-16-13-7-6-12(9-11(13)10-15)18-14-5-3-4-8-17-14/h6-7,9,14-15H,2-5,8,10H2,1H3/t14-/m1/s1
InChIKeyFHFJQHTYOQZCRC-CQSZACIVSA-N
MW252.31 g/mol
LogP2.48
Rot. Bonds5

About [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol

[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol (PubChem CID 99717398) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
PubChem CID99717398
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
SMILESCCOc1ccc(O[C@@H]2CCCCO2)cc1CO
InChIInChI=1S/C14H20O4/c1-2-16-13-7-6-12(9-11(13)10-15)18-14-5-3-4-8-17-14/h6-7,9,14-15H,2-5,8,10H2,1H3/t14-/m1/s1
InChIKeyFHFJQHTYOQZCRC-CQSZACIVSA-N
XLogP2.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol (CID 99717398) is [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol is CCOc1ccc(O[C@@H]2CCCCO2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol?
The InChIKey is FHFJQHTYOQZCRC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-16-13-7-6-12(9-11(13)10-15)18-14-5-3-4-8-17-14/h6-7,9,14-15H,2-5,8,10H2,1H3/t14-/m1/s1.
What are the key properties of [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol?
[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 99717398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).