3-(2-chlorophenoxy)-7-ethoxychromen-4-one

C17H13ClO4 — CID 700712

IUPAC3-(2-chlorophenoxy)-7-ethoxychromen-4-one
SMILESCCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C17H13ClO4/c1-2-20-11-7-8-12-15(9-11)21-10-16(17(12)19)22-14-6-4-3-5-13(14)18/h3-10H,2H2,1H3
InChIKeyLXQGKBCEVLXSAQ-UHFFFAOYSA-N
MW316.74 g/mol
LogP4.64
Rot. Bonds4

About 3-(2-chlorophenoxy)-7-ethoxychromen-4-one

3-(2-chlorophenoxy)-7-ethoxychromen-4-one (PubChem CID 700712) has the molecular formula C17H13ClO4 and a molecular weight of 316.74 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-7-ethoxychromen-4-one.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-7-ethoxychromen-4-one
PubChem CID700712
Molecular FormulaC17H13ClO4
Molecular Weight316.74 g/mol
Exact Mass316.05
IUPAC Name3-(2-chlorophenoxy)-7-ethoxychromen-4-one
SMILESCCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1
InChIInChI=1S/C17H13ClO4/c1-2-20-11-7-8-12-15(9-11)21-10-16(17(12)19)22-14-6-4-3-5-13(14)18/h3-10H,2H2,1H3
InChIKeyLXQGKBCEVLXSAQ-UHFFFAOYSA-N
XLogP4.64
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethoxyflavone
CID 88881
Efloxate
CID 8395
Isokaempferide
CID 5280862
Kaempferide
CID 5281666
5,7,4'-Trimethoxyflavone
CID 79730
Rhamnocitrin
CID 5320946
7-Methoxy-2-methylisoflavone
CID 354368
Galangin 3,5,7-trimethyl ether
CID 117900
3,7-Dimethoxyflavone
CID 688664
Ermanin
CID 5352001
7-Methoxyflavone
CID 466268
7,4'-Dimethoxyflavone
CID 466269

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-7-ethoxychromen-4-one?
The IUPAC name of 3-(2-chlorophenoxy)-7-ethoxychromen-4-one (CID 700712) is 3-(2-chlorophenoxy)-7-ethoxychromen-4-one.
What is the SMILES notation for 3-(2-chlorophenoxy)-7-ethoxychromen-4-one?
The canonical SMILES for 3-(2-chlorophenoxy)-7-ethoxychromen-4-one is CCOc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1.
What is the InChIKey of 3-(2-chlorophenoxy)-7-ethoxychromen-4-one?
The InChIKey is LXQGKBCEVLXSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO4/c1-2-20-11-7-8-12-15(9-11)21-10-16(17(12)19)22-14-6-4-3-5-13(14)18/h3-10H,2H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-7-ethoxychromen-4-one?
3-(2-chlorophenoxy)-7-ethoxychromen-4-one has a molecular weight of 316.74 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-7-ethoxychromen-4-one is sourced from PubChem (CID 700712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).