(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one

C13H14O3 — CID 102323319

IUPAC(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one
SMILESO=C1CCc2ccccc2[C@]12CCC(O)O2
InChIInChI=1S/C13H14O3/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(15)16-13/h1-4,12,15H,5-8H2/t12?,13-/m1/s1
InChIKeyMLIQDUFJBKLRMQ-ZGTCLIOFSA-N
MW218.25 g/mol
LogP1.53
Rot. Bonds

About (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one

(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one (PubChem CID 102323319) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one.

Molecular Properties

Compound Name(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one
PubChem CID102323319
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one
SMILESO=C1CCc2ccccc2[C@]12CCC(O)O2
InChIInChI=1S/C13H14O3/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(15)16-13/h1-4,12,15H,5-8H2/t12?,13-/m1/s1
InChIKeyMLIQDUFJBKLRMQ-ZGTCLIOFSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
CID 71263398
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
spiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-ol
CID 115010714
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 13053011
3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102434641
spiro[2,3-dihydro-1H-naphthalene-4,3'-2-benzofuran]-1'-one
CID 19904308
1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol
CID 606998
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 62740447
(3S,4S)-3-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopentane]-1'-one
CID 102230867

Frequently Asked Questions

What is the IUPAC name of (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one?
The IUPAC name of (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one (CID 102323319) is (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one.
What is the SMILES notation for (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one?
The canonical SMILES for (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one is O=C1CCc2ccccc2[C@]12CCC(O)O2.
What is the InChIKey of (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one?
The InChIKey is MLIQDUFJBKLRMQ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(15)16-13/h1-4,12,15H,5-8H2/t12?,13-/m1/s1.
What are the key properties of (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one?
(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one has a molecular weight of 218.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one is sourced from PubChem (CID 102323319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).