spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one

C16H12O3 — CID 15194336

IUPACspiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one
SMILESO=C1OC2(Cc3ccccc3CO2)c2ccccc21
InChIInChI=1S/C16H12O3/c17-15-13-7-3-4-8-14(13)16(19-15)9-11-5-1-2-6-12(11)10-18-16/h1-8H,9-10H2
InChIKeyXZECBHMXCVTIAI-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.78
Rot. Bonds

About spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one

spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one (PubChem CID 15194336) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one.

Molecular Properties

Compound Namespiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one
PubChem CID15194336
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Namespiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one
SMILESO=C1OC2(Cc3ccccc3CO2)c2ccccc21
InChIInChI=1S/C16H12O3/c17-15-13-7-3-4-8-14(13)16(19-15)9-11-5-1-2-6-12(11)10-18-16/h1-8H,9-10H2
InChIKeyXZECBHMXCVTIAI-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]
CID 134986595
spiro[2,3-dihydro-1H-naphthalene-4,3'-2-benzofuran]-1'-one
CID 19904308
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
3-methyl-3-(4-methylphenyl)-4H-isochromen-1-one
CID 175365018
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
3,3-bis(trifluoromethyl)-2-benzofuran-1-one
CID 15146487
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
3,3-dinitro-2-benzofuran-1-one
CID 174737679
(3S)-3-phenyl-3-(trifluoromethyl)-4H-isochromen-1-one
CID 134845951
3-chloro-3-(dichloromethyl)-2-benzofuran-1-one
CID 86120030
CID 175876286
CID 175876286
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389

Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one?
The IUPAC name of spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one (CID 15194336) is spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one.
What is the SMILES notation for spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one?
The canonical SMILES for spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one is O=C1OC2(Cc3ccccc3CO2)c2ccccc21.
What is the InChIKey of spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one?
The InChIKey is XZECBHMXCVTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-15-13-7-3-4-8-14(13)16(19-15)9-11-5-1-2-6-12(11)10-18-16/h1-8H,9-10H2.
What are the key properties of spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one?
spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one has a molecular weight of 252.27 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one is sourced from PubChem (CID 15194336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).