2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone

C17H18O3 — CID 11694682

IUPAC2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone
SMILESO=C(C[C@H]1OCCC[C@@H]1O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O3/c18-15-6-3-9-20-17(15)11-16(19)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15,17-18H,3,6,9,11H2/t15-,17+/m0/s1
InChIKeyDFSKHKKZUGVJJG-DOTOQJQBSA-N
MW270.33 g/mol
LogP2.95
Rot. Bonds3

About 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone

2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone (PubChem CID 11694682) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone
PubChem CID11694682
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone
SMILESO=C(C[C@H]1OCCC[C@@H]1O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O3/c18-15-6-3-9-20-17(15)11-16(19)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15,17-18H,3,6,9,11H2/t15-,17+/m0/s1
InChIKeyDFSKHKKZUGVJJG-DOTOQJQBSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone?
The IUPAC name of 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone (CID 11694682) is 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone is O=C(C[C@H]1OCCC[C@@H]1O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone?
The InChIKey is DFSKHKKZUGVJJG-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H18O3/c18-15-6-3-9-20-17(15)11-16(19)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15,17-18H,3,6,9,11H2/t15-,17+/m0/s1.
What are the key properties of 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone?
2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone has a molecular weight of 270.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 11694682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).