7,8a-dihydrochromen-8-one

C9H8O2 — CID 57312610

IUPAC7,8a-dihydrochromen-8-one
SMILESO=C1CC=CC2=CC=COC12
InChIInChI=1S/C9H8O2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-4,6,9H,5H2
InChIKeyXTSIWIWBDZEIEC-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.35
Rot. Bonds

About 7,8a-dihydrochromen-8-one

7,8a-dihydrochromen-8-one (PubChem CID 57312610) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 7,8a-dihydrochromen-8-one.

Molecular Properties

Compound Name7,8a-dihydrochromen-8-one
PubChem CID57312610
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name7,8a-dihydrochromen-8-one
SMILESO=C1CC=CC2=CC=COC12
InChIInChI=1S/C9H8O2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-4,6,9H,5H2
InChIKeyXTSIWIWBDZEIEC-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,7-Dihydrochromen-8-one
CID 66738258
5,8a-Dihydrochromen-8-one
CID 66738702
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CID 88789002

Frequently Asked Questions

What is the IUPAC name of 7,8a-dihydrochromen-8-one?
The IUPAC name of 7,8a-dihydrochromen-8-one (CID 57312610) is 7,8a-dihydrochromen-8-one.
What is the SMILES notation for 7,8a-dihydrochromen-8-one?
The canonical SMILES for 7,8a-dihydrochromen-8-one is O=C1CC=CC2=CC=COC12.
What is the InChIKey of 7,8a-dihydrochromen-8-one?
The InChIKey is XTSIWIWBDZEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-4,6,9H,5H2.
What are the key properties of 7,8a-dihydrochromen-8-one?
7,8a-dihydrochromen-8-one has a molecular weight of 148.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dihydrochromen-8-one is sourced from PubChem (CID 57312610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).