spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one

C13H10O2 — CID 10821793

IUPACspiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESO=C1C=CC2(C=C1)COc1ccccc12
InChIInChI=1S/C13H10O2/c14-10-5-7-13(8-6-10)9-15-12-4-2-1-3-11(12)13/h1-8H,9H2
InChIKeyBVKHHBVKVAQDNJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.01
Rot. Bonds

About spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one

spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one (PubChem CID 10821793) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one.

Molecular Properties

Compound Namespiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
PubChem CID10821793
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Namespiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESO=C1C=CC2(C=C1)COc1ccccc12
InChIInChI=1S/C13H10O2/c14-10-5-7-13(8-6-10)9-15-12-4-2-1-3-11(12)13/h1-8H,9H2
InChIKeyBVKHHBVKVAQDNJ-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
CID 14141979
3,3-dibromo-2H-1-benzofuran
CID 70451620
CID 175667851
CID 175667851
(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]
CID 122361282
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561835
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
CID 20801257
1'-methylspiro[2H-1-benzofuran-3,4'-imidazolidine]-2'-one
CID 175868133
(3R)-3-phenyl-2H-1-benzofuran-3-amine
CID 138979222
1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
CID 58564359
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
spiro[2H-1-benzofuran-3,3'-piperidine]-2'-one
CID 150627581
3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546

Frequently Asked Questions

What is the IUPAC name of spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one?
The IUPAC name of spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one (CID 10821793) is spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one.
What is the SMILES notation for spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one?
The canonical SMILES for spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one is O=C1C=CC2(C=C1)COc1ccccc12.
What is the InChIKey of spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one?
The InChIKey is BVKHHBVKVAQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-10-5-7-13(8-6-10)9-15-12-4-2-1-3-11(12)13/h1-8H,9H2.
What are the key properties of spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one?
spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one has a molecular weight of 198.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one is sourced from PubChem (CID 10821793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).