3,4,6,7-tetrahydrochromen-2-one

C9H10O2 — CID 141002925

IUPAC3,4,6,7-tetrahydrochromen-2-one
SMILESO=C1CCC2=CCCC=C2O1
InChIInChI=1S/C9H10O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h3-4H,1-2,5-6H2
InChIKeyYALDYGIDJDWGPK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.93
Rot. Bonds

About 3,4,6,7-tetrahydrochromen-2-one

3,4,6,7-tetrahydrochromen-2-one (PubChem CID 141002925) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,4,6,7-tetrahydrochromen-2-one.

Molecular Properties

Compound Name3,4,6,7-tetrahydrochromen-2-one
PubChem CID141002925
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3,4,6,7-tetrahydrochromen-2-one
SMILESO=C1CCC2=CCCC=C2O1
InChIInChI=1S/C9H10O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h3-4H,1-2,5-6H2
InChIKeyYALDYGIDJDWGPK-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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adamantane;oxolane-2,5-dione
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(2,6-13C2)oxane-2,6-dione
CID 45039353
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
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1-oxacycloundec-8-ene-2,11-dione
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(10E)-1-oxacyclotridec-10-ene-2,13-dione
CID 172810231
carbamic acid;oxolane-2,5-dione
CID 174883568
oxacyclododecane-2,12-dione
CID 14785770
oxane-2,6-dione;hydrofluoride
CID 158320792
6-(1-methyl-2-oxidoindazol-2-ium-3-yl)-3,4-dihydropyran-2-one
CID 169094020

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydrochromen-2-one?
The IUPAC name of 3,4,6,7-tetrahydrochromen-2-one (CID 141002925) is 3,4,6,7-tetrahydrochromen-2-one.
What is the SMILES notation for 3,4,6,7-tetrahydrochromen-2-one?
The canonical SMILES for 3,4,6,7-tetrahydrochromen-2-one is O=C1CCC2=CCCC=C2O1.
What is the InChIKey of 3,4,6,7-tetrahydrochromen-2-one?
The InChIKey is YALDYGIDJDWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h3-4H,1-2,5-6H2.
What are the key properties of 3,4,6,7-tetrahydrochromen-2-one?
3,4,6,7-tetrahydrochromen-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydrochromen-2-one is sourced from PubChem (CID 141002925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).