2,8-dihydrochromen-7-one

C9H8O2 — CID 21416084

IUPAC2,8-dihydrochromen-7-one
SMILESO=C1C=CC2=C(C1)OCC=C2
InChIInChI=1S/C9H8O2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-4H,5-6H2
InChIKeyXQVIULNCDRRXFC-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.36
Rot. Bonds

About 2,8-dihydrochromen-7-one

2,8-dihydrochromen-7-one (PubChem CID 21416084) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,8-dihydrochromen-7-one.

Molecular Properties

Compound Name2,8-dihydrochromen-7-one
PubChem CID21416084
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2,8-dihydrochromen-7-one
SMILESO=C1C=CC2=C(C1)OCC=C2
InChIInChI=1S/C9H8O2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-4H,5-6H2
InChIKeyXQVIULNCDRRXFC-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dihydrochromen-7-one?
The IUPAC name of 2,8-dihydrochromen-7-one (CID 21416084) is 2,8-dihydrochromen-7-one.
What is the SMILES notation for 2,8-dihydrochromen-7-one?
The canonical SMILES for 2,8-dihydrochromen-7-one is O=C1C=CC2=C(C1)OCC=C2.
What is the InChIKey of 2,8-dihydrochromen-7-one?
The InChIKey is XQVIULNCDRRXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-4H,5-6H2.
What are the key properties of 2,8-dihydrochromen-7-one?
2,8-dihydrochromen-7-one has a molecular weight of 148.16 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydrochromen-7-one is sourced from PubChem (CID 21416084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).