(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol

C15H22O3 — CID 24764148

IUPAC(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
SMILESCC[C@@H]1CO[C@@H](COCc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H22O3/c1-2-13-10-18-14(8-15(13)16)11-17-9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyKNMOKALLLBXWQH-RBSFLKMASA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds5

About (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol

(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol (PubChem CID 24764148) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
PubChem CID24764148
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
SMILESCC[C@@H]1CO[C@@H](COCc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H22O3/c1-2-13-10-18-14(8-15(13)16)11-17-9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyKNMOKALLLBXWQH-RBSFLKMASA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol?
The IUPAC name of (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol (CID 24764148) is (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol.
What is the SMILES notation for (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol?
The canonical SMILES for (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol is CC[C@@H]1CO[C@@H](COCc2ccccc2)C[C@H]1O.
What is the InChIKey of (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol?
The InChIKey is KNMOKALLLBXWQH-RBSFLKMASA-N. The full InChI is InChI=1S/C15H22O3/c1-2-13-10-18-14(8-15(13)16)11-17-9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol?
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol has a molecular weight of 250.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol is sourced from PubChem (CID 24764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).