2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one

C23H24FNO6 — CID 142681830

IUPAC2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one
SMILESCOc1c(OCCN2CCCCC2)cc2oc(Oc3ccc(F)cc3)cc(=O)c2c1O
InChIInChI=1S/C23H24FNO6/c1-28-23-19(29-12-11-25-9-3-2-4-10-25)14-18-21(22(23)27)17(26)13-20(31-18)30-16-7-5-15(24)6-8-16/h5-8,13-14,27H,2-4,9-12H2,1H3
InChIKeyLTFKYHUFUUHOEC-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one

2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one (PubChem CID 142681830) has the molecular formula C23H24FNO6 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one
PubChem CID142681830
Molecular FormulaC23H24FNO6
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one
SMILESCOc1c(OCCN2CCCCC2)cc2oc(Oc3ccc(F)cc3)cc(=O)c2c1O
InChIInChI=1S/C23H24FNO6/c1-28-23-19(29-12-11-25-9-3-2-4-10-25)14-18-21(22(23)27)17(26)13-20(31-18)30-16-7-5-15(24)6-8-16/h5-8,13-14,27H,2-4,9-12H2,1H3
InChIKeyLTFKYHUFUUHOEC-UHFFFAOYSA-N
XLogP4.30
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one with MolForge

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Related Compounds

5-hydroxy-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one
CID 57398925
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
[4-(5-hydroxy-6-methoxy-4-oxo-7-propanoyloxychromen-2-yl)oxyphenyl] 2-amino-3-methylbutanoate
CID 142681880
5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one
CID 15288797
1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
CID 54365368
7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one
CID 175333168
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
1-hydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-3,6-bis(4-pyrrolidin-1-ylbutoxy)xanthen-9-one
CID 71515904
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] piperidine-1-carboxylate
CID 71483998
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-piperidin-1-ylethoxy)chromen-4-one;hydrochloride
CID 142688405
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one?
The IUPAC name of 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one (CID 142681830) is 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one?
The canonical SMILES for 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one is COc1c(OCCN2CCCCC2)cc2oc(Oc3ccc(F)cc3)cc(=O)c2c1O.
What is the InChIKey of 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one?
The InChIKey is LTFKYHUFUUHOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO6/c1-28-23-19(29-12-11-25-9-3-2-4-10-25)14-18-21(22(23)27)17(26)13-20(31-18)30-16-7-5-15(24)6-8-16/h5-8,13-14,27H,2-4,9-12H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one?
2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one has a molecular weight of 429.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-hydroxy-6-methoxy-7-(2-piperidin-1-ylethoxy)chromen-4-one is sourced from PubChem (CID 142681830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).