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

C14H15ClO2 — CID 114672944

IUPAC6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCC1CCC2(CC(=O)c3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H15ClO2/c1-9-4-5-14(7-9)8-12(16)11-6-10(15)2-3-13(11)17-14/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyOACKRSGUHODUJK-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.86
Rot. Bonds

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

6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 114672944) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID114672944
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESCC1CCC2(CC(=O)c3cc(Cl)ccc3O2)C1
InChIInChI=1S/C14H15ClO2/c1-9-4-5-14(7-9)8-12(16)11-6-10(15)2-3-13(11)17-14/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyOACKRSGUHODUJK-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
4'-tert-butyl-6-chlorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672988
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114673017
6-chloro-3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672712
7-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114674789
6-chloro-1'-prop-1-en-2-ylspiro[3H-chromene-2,4'-azepane]-4-one;ethane;methylcyclohexane
CID 143498134
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 47001263
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
6-chloro-2'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114673009
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
6-bromo-3'-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 58424743
7-bromo-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114673376

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 114672944) is 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one is CC1CCC2(CC(=O)c3cc(Cl)ccc3O2)C1.
What is the InChIKey of 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is OACKRSGUHODUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-9-4-5-14(7-9)8-12(16)11-6-10(15)2-3-13(11)17-14/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one?
6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 250.72 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 114672944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).