7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one

C17H22O3 — CID 114672429

IUPAC7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
SMILESCOc1ccc2c(c1)OC1(CCCCCCC1)CC2=O
InChIInChI=1S/C17H22O3/c1-19-13-7-8-14-15(18)12-17(20-16(14)11-13)9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10,12H2,1H3
InChIKeyIGLFODBEONFKKD-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.14
Rot. Bonds1

About 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one

7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one (PubChem CID 114672429) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one.

Molecular Properties

Compound Name7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
PubChem CID114672429
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
SMILESCOc1ccc2c(c1)OC1(CCCCCCC1)CC2=O
InChIInChI=1S/C17H22O3/c1-19-13-7-8-14-15(18)12-17(20-16(14)11-13)9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10,12H2,1H3
InChIKeyIGLFODBEONFKKD-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
CID 114672414
3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 106875112
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770657
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
CID 691652

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one?
The IUPAC name of 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one (CID 114672429) is 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one.
What is the SMILES notation for 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one?
The canonical SMILES for 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one is COc1ccc2c(c1)OC1(CCCCCCC1)CC2=O.
What is the InChIKey of 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one?
The InChIKey is IGLFODBEONFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-19-13-7-8-14-15(18)12-17(20-16(14)11-13)9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10,12H2,1H3.
What are the key properties of 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one?
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one has a molecular weight of 274.36 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one is sourced from PubChem (CID 114672429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).