6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one

C15H18O3 — CID 129395002

IUPAC6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(O[C@@H]3CCCCO3)ccc21
InChIInChI=1S/C15H18O3/c16-14-5-3-4-11-10-12(7-8-13(11)14)18-15-6-1-2-9-17-15/h7-8,10,15H,1-6,9H2/t15-/m1/s1
InChIKeyXGTMNIIGLMBWOL-OAHLLOKOSA-N
MW246.31 g/mol
LogP3.11
Rot. Bonds2

About 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one

6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 129395002) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID129395002
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(O[C@@H]3CCCCO3)ccc21
InChIInChI=1S/C15H18O3/c16-14-5-3-4-11-10-12(7-8-13(11)14)18-15-6-1-2-9-17-15/h7-8,10,15H,1-6,9H2/t15-/m1/s1
InChIKeyXGTMNIIGLMBWOL-OAHLLOKOSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
CID 21444523
6-[2-(oxan-2-yloxy)-6-phenylmethoxyphenoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 139263952
2-(3,4-dimethylphenoxy)oxane
CID 10987441
(8S,13S,14S)-13-methyl-3-(oxan-2-yloxy)-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 15307277
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane
CID 59600964
6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 64748496
6-(azepan-4-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 21287520
9-methyl-2,7-bis(oxan-2-yloxy)fluoren-9-ol
CID 154680130
5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
CID 107684183
4-(oxan-2-yloxy)benzoic acid
CID 11183645
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one (CID 129395002) is 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(O[C@@H]3CCCCO3)ccc21.
What is the InChIKey of 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XGTMNIIGLMBWOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O3/c16-14-5-3-4-11-10-12(7-8-13(11)14)18-15-6-1-2-9-17-15/h7-8,10,15H,1-6,9H2/t15-/m1/s1.
What are the key properties of 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one?
6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 246.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 129395002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).