(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol

C24H26O3 — CID 67797905

IUPAC(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
SMILESCC[C@@H]1C[C@@](O)(c2cccc(OCc3ccc4ccccc4c3)c2)CCO1
InChIInChI=1S/C24H26O3/c1-2-22-16-24(25,12-13-26-22)21-8-5-9-23(15-21)27-17-18-10-11-19-6-3-4-7-20(19)14-18/h3-11,14-15,22,25H,2,12-13,16-17H2,1H3/t22-,24-/m1/s1
InChIKeyFVSUJFXEAYCQIR-ISKFKSNPSA-N
MW362.47 g/mol
LogP5.20
Rot. Bonds5

About (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol

(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol (PubChem CID 67797905) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
PubChem CID67797905
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
SMILESCC[C@@H]1C[C@@](O)(c2cccc(OCc3ccc4ccccc4c3)c2)CCO1
InChIInChI=1S/C24H26O3/c1-2-22-16-24(25,12-13-26-22)21-8-5-9-23(15-21)27-17-18-10-11-19-6-3-4-7-20(19)14-18/h3-11,14-15,22,25H,2,12-13,16-17H2,1H3/t22-,24-/m1/s1
InChIKeyFVSUJFXEAYCQIR-ISKFKSNPSA-N
XLogP5.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol?
The IUPAC name of (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol (CID 67797905) is (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol.
What is the SMILES notation for (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol?
The canonical SMILES for (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol is CC[C@@H]1C[C@@](O)(c2cccc(OCc3ccc4ccccc4c3)c2)CCO1.
What is the InChIKey of (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol?
The InChIKey is FVSUJFXEAYCQIR-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H26O3/c1-2-22-16-24(25,12-13-26-22)21-8-5-9-23(15-21)27-17-18-10-11-19-6-3-4-7-20(19)14-18/h3-11,14-15,22,25H,2,12-13,16-17H2,1H3/t22-,24-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol?
(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol has a molecular weight of 362.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol is sourced from PubChem (CID 67797905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).