2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one

C12H14O3 — CID 138982918

IUPAC2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
SMILESCC(CO)C1CC(=O)c2ccccc2O1
InChIInChI=1S/C12H14O3/c1-8(7-13)12-6-10(14)9-4-2-3-5-11(9)15-12/h2-5,8,12-13H,6-7H2,1H3
InChIKeyWDWSDEPBBRKULI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.65
Rot. Bonds2

About 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one

2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one (PubChem CID 138982918) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
PubChem CID138982918
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
SMILESCC(CO)C1CC(=O)c2ccccc2O1
InChIInChI=1S/C12H14O3/c1-8(7-13)12-6-10(14)9-4-2-3-5-11(9)15-12/h2-5,8,12-13H,6-7H2,1H3
InChIKeyWDWSDEPBBRKULI-UHFFFAOYSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one (CID 138982918) is 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one is CC(CO)C1CC(=O)c2ccccc2O1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one?
The InChIKey is WDWSDEPBBRKULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(7-13)12-6-10(14)9-4-2-3-5-11(9)15-12/h2-5,8,12-13H,6-7H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one?
2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 138982918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).