chromen-4-one;ethane

C11H12O2 — CID 91315086

IUPACchromen-4-one;ethane
SMILESCC.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.C2H6/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2/h1-6H;1-2H3
InChIKeyHJYCWXSVHYPLBF-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.82
Rot. Bonds

About chromen-4-one;ethane

chromen-4-one;ethane (PubChem CID 91315086) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is chromen-4-one;ethane.

Molecular Properties

Compound Namechromen-4-one;ethane
PubChem CID91315086
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Namechromen-4-one;ethane
SMILESCC.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.C2H6/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2/h1-6H;1-2H3
InChIKeyHJYCWXSVHYPLBF-UHFFFAOYSA-N
XLogP2.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of chromen-4-one;ethane?
The IUPAC name of chromen-4-one;ethane (CID 91315086) is chromen-4-one;ethane.
What is the SMILES notation for chromen-4-one;ethane?
The canonical SMILES for chromen-4-one;ethane is CC.O=c1ccoc2ccccc12.
What is the InChIKey of chromen-4-one;ethane?
The InChIKey is HJYCWXSVHYPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C2H6/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2/h1-6H;1-2H3.
What are the key properties of chromen-4-one;ethane?
chromen-4-one;ethane has a molecular weight of 176.21 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-4-one;ethane is sourced from PubChem (CID 91315086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).