3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one

C16H20O4 — CID 106875112

IUPAC3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCOc1ccc2c(c1)OC1(CCCC(OC)C1)CC2=O
InChIInChI=1S/C16H20O4/c1-18-11-5-6-13-14(17)10-16(20-15(13)8-11)7-3-4-12(9-16)19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyLPUNROJPQFMRNS-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.99
Rot. Bonds2

About 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one

3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 106875112) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID106875112
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCOc1ccc2c(c1)OC1(CCCC(OC)C1)CC2=O
InChIInChI=1S/C16H20O4/c1-18-11-5-6-13-14(17)10-16(20-15(13)8-11)7-3-4-12(9-16)19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyLPUNROJPQFMRNS-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
CID 114672414
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 47001263
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
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
CID 691652
7-methoxy-1'-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 51583615

Frequently Asked Questions

What is the IUPAC name of 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 106875112) is 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one is COc1ccc2c(c1)OC1(CCCC(OC)C1)CC2=O.
What is the InChIKey of 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is LPUNROJPQFMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-18-11-5-6-13-14(17)10-16(20-15(13)8-11)7-3-4-12(9-16)19-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 276.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 106875112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).