6-ethyl-2,3,5,6-tetrahydrochromen-4-one

C11H14O2 — CID 143275947

IUPAC6-ethyl-2,3,5,6-tetrahydrochromen-4-one
SMILESCCC1C=CC2=C(C1)C(=O)CCO2
InChIInChI=1S/C11H14O2/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-4,8H,2,5-7H2,1H3
InChIKeyDCQLPEPQXZIXKJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 6-ethyl-2,3,5,6-tetrahydrochromen-4-one

6-ethyl-2,3,5,6-tetrahydrochromen-4-one (PubChem CID 143275947) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-ethyl-2,3,5,6-tetrahydrochromen-4-one.

Molecular Properties

Compound Name6-ethyl-2,3,5,6-tetrahydrochromen-4-one
PubChem CID143275947
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-ethyl-2,3,5,6-tetrahydrochromen-4-one
SMILESCCC1C=CC2=C(C1)C(=O)CCO2
InChIInChI=1S/C11H14O2/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-4,8H,2,5-7H2,1H3
InChIKeyDCQLPEPQXZIXKJ-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
Xanthene-1,8-dione
CID 129712473
6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
CID 139642662
(2R,3S)-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 44516376
5-Methoxy-2-methyl-6-(3-oxobut-1-enyl)-4a,5,8,8a-tetrahydrochromen-4-one
CID 91580224
[(4aS,8aS)-4-oxo-3-propan-2-ylidene-4a,7,8,8a-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 102292002
Octahydronaphthopyranone
CID 129668862
7-hydroxy-6,8-dimethyl-2-[(E)-prop-1-enyl]-2,3,5,6-tetrahydrochromen-4-one
CID 129835674
(5S)-2-methoxy-6,6-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
CID 135013990
2-Methoxy-8,8-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
CID 135039808
(2S,3R)-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 135041369
[(6S,7R)-6-ethyl-5-oxo-1,2,3,4,6,7-hexahydrobenzo[7]annulen-7-yl] acetate
CID 135042500

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,5,6-tetrahydrochromen-4-one?
The IUPAC name of 6-ethyl-2,3,5,6-tetrahydrochromen-4-one (CID 143275947) is 6-ethyl-2,3,5,6-tetrahydrochromen-4-one.
What is the SMILES notation for 6-ethyl-2,3,5,6-tetrahydrochromen-4-one?
The canonical SMILES for 6-ethyl-2,3,5,6-tetrahydrochromen-4-one is CCC1C=CC2=C(C1)C(=O)CCO2.
What is the InChIKey of 6-ethyl-2,3,5,6-tetrahydrochromen-4-one?
The InChIKey is DCQLPEPQXZIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 6-ethyl-2,3,5,6-tetrahydrochromen-4-one?
6-ethyl-2,3,5,6-tetrahydrochromen-4-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,5,6-tetrahydrochromen-4-one is sourced from PubChem (CID 143275947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).