5-propan-2-yl-2,3-dihydrochromen-4-one

C12H14O2 — CID 131424256

IUPAC5-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)c1cccc2c1C(=O)CCO2
InChIInChI=1S/C12H14O2/c1-8(2)9-4-3-5-11-12(9)10(13)6-7-14-11/h3-5,8H,6-7H2,1-2H3
InChIKeyXWTCVEMVPMTIAB-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.78
Rot. Bonds1

About 5-propan-2-yl-2,3-dihydrochromen-4-one

5-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 131424256) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID131424256
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)c1cccc2c1C(=O)CCO2
InChIInChI=1S/C12H14O2/c1-8(2)9-4-3-5-11-12(9)10(13)6-7-14-11/h3-5,8H,6-7H2,1-2H3
InChIKeyXWTCVEMVPMTIAB-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5,6-dihydroxy-2,3-dihydrochromen-4-one
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CID 118656628
7-propan-2-yl-3-sulfanylidene-2-benzofuran-1-one
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5-fluoro-6-methoxy-2,3-dihydrochromen-4-one
CID 55269506
benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 143992142
3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
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CID 163793293
CID 163793293
2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-propan-2-yl-2,3-dihydrochromen-4-one (CID 131424256) is 5-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-propan-2-yl-2,3-dihydrochromen-4-one is CC(C)c1cccc2c1C(=O)CCO2.
What is the InChIKey of 5-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is XWTCVEMVPMTIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)9-4-3-5-11-12(9)10(13)6-7-14-11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3-dihydrochromen-4-one?
5-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 190.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 131424256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).