4a,8a-dihydrochromen-4-one

C9H8O2 — CID 22666355

IUPAC4a,8a-dihydrochromen-4-one
SMILESO=C1C=COC2C=CC=CC12
InChIInChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-7,9H
InChIKeyDSUUSVZLEGXBNC-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.21
Rot. Bonds

About 4a,8a-dihydrochromen-4-one

4a,8a-dihydrochromen-4-one (PubChem CID 22666355) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4a,8a-dihydrochromen-4-one.

Molecular Properties

Compound Name4a,8a-dihydrochromen-4-one
PubChem CID22666355
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name4a,8a-dihydrochromen-4-one
SMILESO=C1C=COC2C=CC=CC12
InChIInChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-7,9H
InChIKeyDSUUSVZLEGXBNC-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydrochromen-4-one?
The IUPAC name of 4a,8a-dihydrochromen-4-one (CID 22666355) is 4a,8a-dihydrochromen-4-one.
What is the SMILES notation for 4a,8a-dihydrochromen-4-one?
The canonical SMILES for 4a,8a-dihydrochromen-4-one is O=C1C=COC2C=CC=CC12.
What is the InChIKey of 4a,8a-dihydrochromen-4-one?
The InChIKey is DSUUSVZLEGXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-7,9H.
What are the key properties of 4a,8a-dihydrochromen-4-one?
4a,8a-dihydrochromen-4-one has a molecular weight of 148.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydrochromen-4-one is sourced from PubChem (CID 22666355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).