2-methyl-8-propyl-2,3-dihydrochromen-4-one

C13H16O2 — CID 56613123

IUPAC2-methyl-8-propyl-2,3-dihydrochromen-4-one
SMILESCCCc1cccc2c1OC(C)CC2=O
InChIInChI=1S/C13H16O2/c1-3-5-10-6-4-7-11-12(14)8-9(2)15-13(10)11/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyVURUBYUDHIVUNY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.99
Rot. Bonds2

About 2-methyl-8-propyl-2,3-dihydrochromen-4-one

2-methyl-8-propyl-2,3-dihydrochromen-4-one (PubChem CID 56613123) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-8-propyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-methyl-8-propyl-2,3-dihydrochromen-4-one
PubChem CID56613123
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methyl-8-propyl-2,3-dihydrochromen-4-one
SMILESCCCc1cccc2c1OC(C)CC2=O
InChIInChI=1S/C13H16O2/c1-3-5-10-6-4-7-11-12(14)8-9(2)15-13(10)11/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyVURUBYUDHIVUNY-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-iodo-2-methyl-2,3-dihydrochromen-4-one
CID 43536448
(2S)-2,7,8-trimethyl-2,3-dihydrochromen-4-one
CID 93105242
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
4-propyl-6H-benzo[c][1]benzoxepin-11-one
CID 139748970
7-propyl-3-sulfanylidene-2-benzofuran-1-one
CID 139672288
8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one
CID 43536412
2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 24829257
4-propyl-1,2-dihydroindazol-3-one
CID 175336398
(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
CID 52953388
6,8-ditert-butyl-2-methyl-2,3-dihydrochromen-4-one
CID 43536433
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-propyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-methyl-8-propyl-2,3-dihydrochromen-4-one (CID 56613123) is 2-methyl-8-propyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-methyl-8-propyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-methyl-8-propyl-2,3-dihydrochromen-4-one is CCCc1cccc2c1OC(C)CC2=O.
What is the InChIKey of 2-methyl-8-propyl-2,3-dihydrochromen-4-one?
The InChIKey is VURUBYUDHIVUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-5-10-6-4-7-11-12(14)8-9(2)15-13(10)11/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 2-methyl-8-propyl-2,3-dihydrochromen-4-one?
2-methyl-8-propyl-2,3-dihydrochromen-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-propyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 56613123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).