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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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).