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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Related Compounds

1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-(thiepan-1-ium-1-yl)ethanone
CID 142377238
[(2S,3R)-2-phenacyloxan-3-yl] acetate
CID 101372581
CID 87197273
CID 87197273
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
CID 94149671
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
hexafluoroantimony(1-);1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone
CID 16705545
(E)-N-naphthalen-2-yl-3-(oxolan-2-yl)prop-2-enamide
CID 137465399

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).