3-cyclopropyl-2,3-dihydrochromen-4-one

C12H12O2 — CID 69056913

IUPAC3-cyclopropyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1C1CC1
InChIInChI=1S/C12H12O2/c13-12-9-3-1-2-4-11(9)14-7-10(12)8-5-6-8/h1-4,8,10H,5-7H2
InChIKeyCGCMYDJDGCNZKX-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.29
Rot. Bonds1

About 3-cyclopropyl-2,3-dihydrochromen-4-one

3-cyclopropyl-2,3-dihydrochromen-4-one (PubChem CID 69056913) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-cyclopropyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2,3-dihydrochromen-4-one
PubChem CID69056913
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-cyclopropyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1C1CC1
InChIInChI=1S/C12H12O2/c13-12-9-3-1-2-4-11(9)14-7-10(12)8-5-6-8/h1-4,8,10H,5-7H2
InChIKeyCGCMYDJDGCNZKX-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-morpholin-3-yl-2,3-dihydrochromen-4-one
CID 116698663
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
3-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57186431
4-oxo-2,3-dihydrochromene-3-carboxylic acid
CID 68674763
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
CID 22974592
1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one
CID 86154026
3-[2-(4-oxo-2,3-dihydrochromen-3-yl)-1,2-diphenylethyl]-2,3-dihydrochromen-4-one
CID 14435077
(4S)-4-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
CID 51669155
3-(3-oxobutyl)-2,3-dihydrochromen-4-one
CID 23465810
(3R)-3-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 124528047
(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
CID 177402596
dimethyl-[[(3S)-4-oxo-2,3-dihydrochromen-3-yl]methyl]azanium
CID 7210424

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-cyclopropyl-2,3-dihydrochromen-4-one (CID 69056913) is 3-cyclopropyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-cyclopropyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-cyclopropyl-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1C1CC1.
What is the InChIKey of 3-cyclopropyl-2,3-dihydrochromen-4-one?
The InChIKey is CGCMYDJDGCNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-12-9-3-1-2-4-11(9)14-7-10(12)8-5-6-8/h1-4,8,10H,5-7H2.
What are the key properties of 3-cyclopropyl-2,3-dihydrochromen-4-one?
3-cyclopropyl-2,3-dihydrochromen-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 69056913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).