phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone

C20H20O2 — CID 102024747

IUPACphenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone
SMILESO=C(c1ccccc1)C1CCc2ccccc2C12CCCO2
InChIInChI=1S/C20H20O2/c21-19(16-8-2-1-3-9-16)18-12-11-15-7-4-5-10-17(15)20(18)13-6-14-22-20/h1-5,7-10,18H,6,11-14H2
InChIKeyOLDQNWUOOMYUKP-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.14
Rot. Bonds2

About phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone

phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone (PubChem CID 102024747) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone.

Molecular Properties

Compound Namephenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone
PubChem CID102024747
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Namephenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone
SMILESO=C(c1ccccc1)C1CCc2ccccc2C12CCCO2
InChIInChI=1S/C20H20O2/c21-19(16-8-2-1-3-9-16)18-12-11-15-7-4-5-10-17(15)20(18)13-6-14-22-20/h1-5,7-10,18H,6,11-14H2
InChIKeyOLDQNWUOOMYUKP-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]
CID 132915639
phenyl(spiro[2.4]heptan-2-yl)methanone
CID 146164846
phenyl(spiro[3.5]nonan-9-yl)methanone
CID 101482712
(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
CID 2750591
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
2,3-dihydro-1aH-naphtho[1,2-b]oxiren-7b-yl benzoate
CID 85397832
1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
CID 11482317
7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one
CID 102024736
[(1S,2S,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-2-yl]-phenylmethanone
CID 639381
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765

Frequently Asked Questions

What is the IUPAC name of phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone?
The IUPAC name of phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone (CID 102024747) is phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone.
What is the SMILES notation for phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone?
The canonical SMILES for phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone is O=C(c1ccccc1)C1CCc2ccccc2C12CCCO2.
What is the InChIKey of phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone?
The InChIKey is OLDQNWUOOMYUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c21-19(16-8-2-1-3-9-16)18-12-11-15-7-4-5-10-17(15)20(18)13-6-14-22-20/h1-5,7-10,18H,6,11-14H2.
What are the key properties of phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone?
phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone is sourced from PubChem (CID 102024747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).