5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

C15H18O3 — CID 65454257

IUPAC5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC3CCCO3)cccc21
InChIInChI=1S/C15H18O3/c16-14-7-1-6-13-12(14)5-2-8-15(13)18-10-11-4-3-9-17-11/h2,5,8,11H,1,3-4,6-7,9-10H2
InChIKeyGJTLAYJVUVDDQM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.76
Rot. Bonds3

About 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one

5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65454257) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65454257
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCC3CCCO3)cccc21
InChIInChI=1S/C15H18O3/c16-14-7-1-6-13-12(14)5-2-8-15(13)18-10-11-4-3-9-17-11/h2,5,8,11H,1,3-4,6-7,9-10H2
InChIKeyGJTLAYJVUVDDQM-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455572
3-methyl-1-[2-(oxolan-2-ylmethoxy)phenyl]-2,5,6,7-tetrahydroisoindol-4-one
CID 71811999
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
4-[[(2S)-oxolan-2-yl]methoxy]-1,3-dihydrobenzimidazol-2-one
CID 163470938
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65455205
N-methyl-5-(oxolan-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455735
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074354
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 65454257) is 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCC3CCCO3)cccc21.
What is the InChIKey of 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GJTLAYJVUVDDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-14-7-1-6-13-12(14)5-2-8-15(13)18-10-11-4-3-9-17-11/h2,5,8,11H,1,3-4,6-7,9-10H2.
What are the key properties of 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one?
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65454257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).