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

C15H18O2 — CID 90985582

IUPAC6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCCCC1)O2
InChIInChI=1S/C15H18O2/c1-11-5-6-14-12(9-11)13(16)10-15(17-14)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyCSICCRJKGWLHDF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.66
Rot. Bonds

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

6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 90985582) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID90985582
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCCCC1)O2
InChIInChI=1S/C15H18O2/c1-11-5-6-14-12(9-11)13(16)10-15(17-14)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyCSICCRJKGWLHDF-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
6-methylspiro[3H-chromene-2,3'-thiolane]-4-one
CID 114673434
6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 91264802
N-cyclohexyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781778
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
CID 10560055
8-amino-6-methylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 82046296
butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108734524
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 90985582) is 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCCCC1)O2.
What is the InChIKey of 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is CSICCRJKGWLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-5-6-14-12(9-11)13(16)10-15(17-14)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one?
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 90985582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).