(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol

C13H18O3 — CID 78955112

IUPAC(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C13H18O3/c1-10(14)11-3-2-4-13(9-11)16-12-5-7-15-8-6-12/h2-4,9-10,12,14H,5-8H2,1H3/t10-/m1/s1
InChIKeyPIKTZJXPOAJAGE-SNVBAGLBSA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds3

About (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol

(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol (PubChem CID 78955112) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
PubChem CID78955112
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C13H18O3/c1-10(14)11-3-2-4-13(9-11)16-12-5-7-15-8-6-12/h2-4,9-10,12,14H,5-8H2,1H3/t10-/m1/s1
InChIKeyPIKTZJXPOAJAGE-SNVBAGLBSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001
2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 115005110
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-[3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 79899060
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
4-amino-4-[3-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447899
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
3-(oxan-4-yloxy)benzoic acid
CID 23149060

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol (CID 78955112) is (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol is C[C@@H](O)c1cccc(OC2CCOCC2)c1.
What is the InChIKey of (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
The InChIKey is PIKTZJXPOAJAGE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(14)11-3-2-4-13(9-11)16-12-5-7-15-8-6-12/h2-4,9-10,12,14H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol is sourced from PubChem (CID 78955112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).