3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one

C13H14O3 — CID 91664847

IUPAC3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one
SMILESCCc1c(C)oc2cc(C)cc(O)c2c1=O
InChIInChI=1S/C13H14O3/c1-4-9-8(3)16-11-6-7(2)5-10(14)12(11)13(9)15/h5-6,14H,4H2,1-3H3
InChIKeyICNMFPAIWRHHPW-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.68
Rot. Bonds1

About 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one

3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one (PubChem CID 91664847) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one
PubChem CID91664847
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one
SMILESCCc1c(C)oc2cc(C)cc(O)c2c1=O
InChIInChI=1S/C13H14O3/c1-4-9-8(3)16-11-6-7(2)5-10(14)12(11)13(9)15/h5-6,14H,4H2,1-3H3
InChIKeyICNMFPAIWRHHPW-UHFFFAOYSA-N
XLogP2.68
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 10966363
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
CID 59679761
1,9-dihydroxy-10-methoxy-3-methylbenzo[c][1]benzoxepine-6,11-dione
CID 139587486
3-ethyl-1,8-dihydroxyxanthen-9-one
CID 164763934
8-hydroxy-3-methoxy-6-methyl-9-oxoxanthene-1-carboxylic acid
CID 45359350
methyl 8-hydroxy-3-methoxy-6-methyl-9-oxoxanthene-1-carboxylate
CID 101122392
4-[(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)methyl]benzonitrile
CID 87816608
4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
CID 174942178
5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
CID 12857252
(2S,3R)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 6352141
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methylchromen-4-one
CID 143775868
2,3,6,8-tetrahydroxy-1-propylxanthen-9-one
CID 162673703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one?
The IUPAC name of 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one (CID 91664847) is 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one.
What is the SMILES notation for 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one?
The canonical SMILES for 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one is CCc1c(C)oc2cc(C)cc(O)c2c1=O.
What is the InChIKey of 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one?
The InChIKey is ICNMFPAIWRHHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-4-9-8(3)16-11-6-7(2)5-10(14)12(11)13(9)15/h5-6,14H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one?
3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one has a molecular weight of 218.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-2,7-dimethylchromen-4-one is sourced from PubChem (CID 91664847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).