6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one

C15H17ClO2 — CID 114673009

IUPAC6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCCC1CCCC12CC(=O)c1cc(Cl)ccc1O2
InChIInChI=1S/C15H17ClO2/c1-2-10-4-3-7-15(10)9-13(17)12-8-11(16)5-6-14(12)18-15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyCYHFTUMEUIPHLC-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.25
Rot. Bonds1

About 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one

6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 114673009) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID114673009
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCCC1CCCC12CC(=O)c1cc(Cl)ccc1O2
InChIInChI=1S/C15H17ClO2/c1-2-10-4-3-7-15(10)9-13(17)12-8-11(16)5-6-14(12)18-15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyCYHFTUMEUIPHLC-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2'-ethylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114673264
6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672944
6'-(4-acetylpiperazine-1-carbonyl)-6-chlorospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 110213643
4'-tert-butyl-6-chlorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672988
(1'R,2S,5'R,6'R)-6-chloro-4-oxo-N-prop-2-enylspiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124808748
1-(6-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine
CID 13233470
6-chloro-3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672712
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114673017
6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122
ethyl 2-(6-chloro-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)acetate
CID 110212843
6-chloro-1'-prop-1-en-2-ylspiro[3H-chromene-2,4'-azepane]-4-one;ethane;methylcyclohexane
CID 143498134

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 114673009) is 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one is CCC1CCCC12CC(=O)c1cc(Cl)ccc1O2.
What is the InChIKey of 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is CYHFTUMEUIPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-2-10-4-3-7-15(10)9-13(17)12-8-11(16)5-6-14(12)18-15/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 264.75 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 114673009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).