6-propan-2-yl-4H-chromen-3-one

C12H14O2 — CID 82603351

IUPAC6-propan-2-yl-4H-chromen-3-one
SMILESCC(C)c1ccc2c(c1)CC(=O)CO2
InChIInChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12/h3-5,8H,6-7H2,1-2H3
InChIKeyYSGAXAHKWXGJCJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.31
Rot. Bonds1

About 6-propan-2-yl-4H-chromen-3-one

6-propan-2-yl-4H-chromen-3-one (PubChem CID 82603351) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-propan-2-yl-4H-chromen-3-one.

Molecular Properties

Compound Name6-propan-2-yl-4H-chromen-3-one
PubChem CID82603351
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-propan-2-yl-4H-chromen-3-one
SMILESCC(C)c1ccc2c(c1)CC(=O)CO2
InChIInChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12/h3-5,8H,6-7H2,1-2H3
InChIKeyYSGAXAHKWXGJCJ-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-oxobutan-2-yl)-4H-chromen-3-one
CID 58541020
6-[hydroxy(methoxy)methyl]-4H-chromen-3-one
CID 139371512
sodium;6-(3-oxobutan-2-yl)-4H-chromen-3-one;2-(3-oxo-4H-chromen-6-yl)propanoic acid;hydroxide
CID 159129207
6-(2-methylpropyl)-4H-chromen-3-one
CID 159015525
3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile
CID 159782681
3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 157156221
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
ethane;6-propan-2-yl-3,4-dihydrochromen-2-one
CID 154661810
3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
CID 59613675
2,2,3,3-tetradeuterio-6-propan-2-yl-1,4-benzodioxine
CID 88993276
methyl 3-oxo-4-(4-propan-2-ylphenyl)-5H-1,4-benzoxazepine-7-carboxylate
CID 139023814
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4H-chromen-3-one?
The IUPAC name of 6-propan-2-yl-4H-chromen-3-one (CID 82603351) is 6-propan-2-yl-4H-chromen-3-one.
What is the SMILES notation for 6-propan-2-yl-4H-chromen-3-one?
The canonical SMILES for 6-propan-2-yl-4H-chromen-3-one is CC(C)c1ccc2c(c1)CC(=O)CO2.
What is the InChIKey of 6-propan-2-yl-4H-chromen-3-one?
The InChIKey is YSGAXAHKWXGJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-4H-chromen-3-one?
6-propan-2-yl-4H-chromen-3-one has a molecular weight of 190.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-chromen-3-one is sourced from PubChem (CID 82603351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).