5,7-dihydrochromen-6-one

C9H8O2 — CID 19760469

IUPAC5,7-dihydrochromen-6-one
SMILESO=C1CC=C2OC=CC=C2C1
InChIInChI=1S/C9H8O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,4-5H,3,6H2
InChIKeyKBJUIEJZEIAXKM-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.70
Rot. Bonds

About 5,7-dihydrochromen-6-one

5,7-dihydrochromen-6-one (PubChem CID 19760469) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 5,7-dihydrochromen-6-one.

Molecular Properties

Compound Name5,7-dihydrochromen-6-one
PubChem CID19760469
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name5,7-dihydrochromen-6-one
SMILESO=C1CC=C2OC=CC=C2C1
InChIInChI=1S/C9H8O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,4-5H,3,6H2
InChIKeyKBJUIEJZEIAXKM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chromen-6-one
CID 129716310
7,8-Dihydro-2h-chromen-5(6h)-one
CID 141240290
4h-Chromen-5(6h)-one
CID 157602217
Acenaphthooxepinone
CID 129755271
Pyranophenalenone
CID 129839450
6,7-dihydro-5H-chromene
CID 20547016
5,7-dihydro-1H-cyclopenta[c]pyran-6-one
CID 21618791
5,7-dihydro-3H-chromene-2,6-dione
CID 22340854
11H-cyclohepta[c]isochromen-10-one
CID 54241957
1,3-Dihydrobenzo[c]chromen-2-one
CID 54257700
5,6,8,8a-Tetrahydrochromen-7-one
CID 54394606
1,4a-Dihydrobenzo[c]chromen-2-one
CID 57008757

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrochromen-6-one?
The IUPAC name of 5,7-dihydrochromen-6-one (CID 19760469) is 5,7-dihydrochromen-6-one.
What is the SMILES notation for 5,7-dihydrochromen-6-one?
The canonical SMILES for 5,7-dihydrochromen-6-one is O=C1CC=C2OC=CC=C2C1.
What is the InChIKey of 5,7-dihydrochromen-6-one?
The InChIKey is KBJUIEJZEIAXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,4-5H,3,6H2.
What are the key properties of 5,7-dihydrochromen-6-one?
5,7-dihydrochromen-6-one has a molecular weight of 148.16 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrochromen-6-one is sourced from PubChem (CID 19760469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).