2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one

C14H16O2 — CID 114673730

IUPAC2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(C1CCC1)O2
InChIInChI=1S/C14H16O2/c1-9-5-6-13-11(7-9)12(15)8-14(16-13)10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyFJXRDUMYISHRNN-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.13
Rot. Bonds1

About 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one

2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 114673730) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one
PubChem CID114673730
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(C1CCC1)O2
InChIInChI=1S/C14H16O2/c1-9-5-6-13-11(7-9)12(15)8-14(16-13)10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyFJXRDUMYISHRNN-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
CID 90717668
N-cyclobutyl-N-(2,4-dimethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380354
2-cyclopropyl-2,3-dihydrochromen-4-one
CID 114671469
2-[2-[4-(6-methyl-4-oxo-2,3-dihydrochromen-2-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110214944
2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonyl chloride
CID 142380257
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693
2-ethyl-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 54350762
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
6-bromo-2-(2,2-dimethyloxan-4-yl)-2,3-dihydrochromen-4-one
CID 58423902

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one (CID 114673730) is 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)CC(C1CCC1)O2.
What is the InChIKey of 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is FJXRDUMYISHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-5-6-13-11(7-9)12(15)8-14(16-13)10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3.
What are the key properties of 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one?
2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 216.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).