6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one

C13H12Cl2O2 — CID 165352507

IUPAC6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESO=C1CC2(CCCC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H12Cl2O2/c14-8-5-9-11(16)7-13(3-1-2-4-13)17-12(9)10(15)6-8/h5-6H,1-4,7H2
InChIKeyUFTQTHJPPXYTFO-UHFFFAOYSA-N
MW271.14 g/mol
LogP4.27
Rot. Bonds

About 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one

6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 165352507) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID165352507
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESO=C1CC2(CCCC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H12Cl2O2/c14-8-5-9-11(16)7-13(3-1-2-4-13)17-12(9)10(15)6-8/h5-6H,1-4,7H2
InChIKeyUFTQTHJPPXYTFO-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-6-chlorospiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 82046391
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770267
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 69014172
6,8-dichloro-1'-(4-methyl-3,5-dinitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735508
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553

Frequently Asked Questions

What is the IUPAC name of 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 165352507) is 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one is O=C1CC2(CCCC2)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is UFTQTHJPPXYTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c14-8-5-9-11(16)7-13(3-1-2-4-13)17-12(9)10(15)6-8/h5-6H,1-4,7H2.
What are the key properties of 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one?
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 271.14 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 165352507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).