(3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one

C20H20O2 — CID 134957797

IUPAC(3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one
SMILESO=C1Cc2ccccc2C[C@]12OCCC[C@@H]2c1ccccc1
InChIInChI=1S/C20H20O2/c21-19-13-16-9-4-5-10-17(16)14-20(19)18(11-6-12-22-20)15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2/t18-,20-/m1/s1
InChIKeyCWVFZRUMJWWXKK-UYAOXDASSA-N
MW292.38 g/mol
LogP3.69
Rot. Bonds1

About (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one

(3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one (PubChem CID 134957797) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one.

Molecular Properties

Compound Name(3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one
PubChem CID134957797
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one
SMILESO=C1Cc2ccccc2C[C@]12OCCC[C@@H]2c1ccccc1
InChIInChI=1S/C20H20O2/c21-19-13-16-9-4-5-10-17(16)14-20(19)18(11-6-12-22-20)15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2/t18-,20-/m1/s1
InChIKeyCWVFZRUMJWWXKK-UYAOXDASSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-Ethyl-4-(4-fluorophenyl)phenyl]-2,2-dimethyl-1-oxaspiro[5.5]undecane-3,5-dione
CID 90958385
9-[3-[4-(2-Fluorophenyl)phenyl]prop-1-en-2-yl]-1-oxaspiro[5.5]undecan-3-one
CID 118562483
17-Oxatetracyclo[6.6.5.02,7.09,14]nonadeca-2,4,6,9,11,13-hexaene-15,19-dione
CID 101752028
(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one
CID 102176753
(1R)-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-10,2'-cyclohexane]-1'-one
CID 138971843
(2R)-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3,4-dihydronaphthalen-1-one
CID 139051151
(2R)-2-[(2R)-2-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl]-2-phenylacetaldehyde
CID 139123701
ethyl 3-benzyl-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 139257220
1-(1-Ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373390
1-(1-Ethoxy-3-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373392
1-(1-Ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347385
1-(1-Ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347387

Frequently Asked Questions

What is the IUPAC name of (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one?
The IUPAC name of (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one (CID 134957797) is (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one.
What is the SMILES notation for (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one?
The canonical SMILES for (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one is O=C1Cc2ccccc2C[C@]12OCCC[C@@H]2c1ccccc1.
What is the InChIKey of (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one?
The InChIKey is CWVFZRUMJWWXKK-UYAOXDASSA-N. The full InChI is InChI=1S/C20H20O2/c21-19-13-16-9-4-5-10-17(16)14-20(19)18(11-6-12-22-20)15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2/t18-,20-/m1/s1.
What are the key properties of (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one?
(3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R)-3'-phenylspiro[1,4-dihydronaphthalene-3,2'-oxane]-2-one is sourced from PubChem (CID 134957797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).