2-ethyl-7-methoxychromen-4-one

C12H12O3 — CID 10013150

IUPAC2-ethyl-7-methoxychromen-4-one
SMILESCCc1cc(=O)c2ccc(OC)cc2o1
InChIInChI=1S/C12H12O3/c1-3-8-6-11(13)10-5-4-9(14-2)7-12(10)15-8/h4-7H,3H2,1-2H3
InChIKeyMDMHFFHNXOONCE-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.36
Rot. Bonds2

About 2-ethyl-7-methoxychromen-4-one

2-ethyl-7-methoxychromen-4-one (PubChem CID 10013150) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-ethyl-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-ethyl-7-methoxychromen-4-one
PubChem CID10013150
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-ethyl-7-methoxychromen-4-one
SMILESCCc1cc(=O)c2ccc(OC)cc2o1
InChIInChI=1S/C12H12O3/c1-3-8-6-11(13)10-5-4-9(14-2)7-12(10)15-8/h4-7H,3H2,1-2H3
InChIKeyMDMHFFHNXOONCE-UHFFFAOYSA-N
XLogP2.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
O-(2-ethyl-4-oxochromen-7-yl) N,N-dimethylcarbamothioate
CID 15171708
7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
CID 127027266
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
2-[(2-iodophenoxy)methyl]-7-methoxychromen-4-one
CID 15160791
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
4-ethyl-7-methoxychromene-2-thione
CID 39732354
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
CID 82020833
2-(furan-3-yl)-7-methoxychromen-4-one
CID 127033457
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxychromen-4-one?
The IUPAC name of 2-ethyl-7-methoxychromen-4-one (CID 10013150) is 2-ethyl-7-methoxychromen-4-one.
What is the SMILES notation for 2-ethyl-7-methoxychromen-4-one?
The canonical SMILES for 2-ethyl-7-methoxychromen-4-one is CCc1cc(=O)c2ccc(OC)cc2o1.
What is the InChIKey of 2-ethyl-7-methoxychromen-4-one?
The InChIKey is MDMHFFHNXOONCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-8-6-11(13)10-5-4-9(14-2)7-12(10)15-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-7-methoxychromen-4-one?
2-ethyl-7-methoxychromen-4-one has a molecular weight of 204.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxychromen-4-one is sourced from PubChem (CID 10013150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).