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

C12H12O3 — CID 82277925

IUPAC7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
SMILESCOc1ccc2c(c1)OCC1(CC1)C2=O
InChIInChI=1S/C12H12O3/c1-14-8-2-3-9-10(6-8)15-7-12(4-5-12)11(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyQPWAIXMBYPGQFT-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.05
Rot. Bonds1

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

7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one (PubChem CID 82277925) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
PubChem CID82277925
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
SMILESCOc1ccc2c(c1)OCC1(CC1)C2=O
InChIInChI=1S/C12H12O3/c1-14-8-2-3-9-10(6-8)15-7-12(4-5-12)11(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyQPWAIXMBYPGQFT-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-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-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
CID 151487704
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 163068081
6-methoxy-1-benzofuran-3-one
CID 585368
(3S)-3-butyl-3-(hydroxymethyl)-7-methoxy-2H-chromen-4-one
CID 101115256
3,3-dibromo-7-(4-methoxyphenyl)-2H-chromen-4-one
CID 69402758
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(3R)-3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
CID 101115257
7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one
CID 22033069
7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
CID 82278075
[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate
CID 101115263

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one?
The IUPAC name of 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one (CID 82277925) is 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one.
What is the SMILES notation for 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one?
The canonical SMILES for 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one is COc1ccc2c(c1)OCC1(CC1)C2=O.
What is the InChIKey of 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one?
The InChIKey is QPWAIXMBYPGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-8-2-3-9-10(6-8)15-7-12(4-5-12)11(9)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one?
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one has a molecular weight of 204.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one is sourced from PubChem (CID 82277925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).