4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one

C12H16O2 — CID 90112278

IUPAC4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
SMILESCC(C)C1C=COC2=C1C(=O)CCC2
InChIInChI=1S/C12H16O2/c1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11/h6-9H,3-5H2,1-2H3
InChIKeyLUCYVBLUFJXGCZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.81
Rot. Bonds1

About 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one

4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one (PubChem CID 90112278) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
PubChem CID90112278
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
SMILESCC(C)C1C=COC2=C1C(=O)CCC2
InChIInChI=1S/C12H16O2/c1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11/h6-9H,3-5H2,1-2H3
InChIKeyLUCYVBLUFJXGCZ-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one (CID 90112278) is 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one is CC(C)C1C=COC2=C1C(=O)CCC2.
What is the InChIKey of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
The InChIKey is LUCYVBLUFJXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one has a molecular weight of 192.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 90112278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).