3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one

C19H17FO4 — CID 59724295

IUPAC3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one
SMILESCOc1ccc(-c2c(C(C)C)oc3cc(O)ccc3c2=O)cc1F
InChIInChI=1S/C19H17FO4/c1-10(2)19-17(11-4-7-15(23-3)14(20)8-11)18(22)13-6-5-12(21)9-16(13)24-19/h4-10,21H,1-3H3
InChIKeyUMCJSTPEPUKFKT-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.44
Rot. Bonds3

About 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one

3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one (PubChem CID 59724295) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one
PubChem CID59724295
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one
SMILESCOc1ccc(-c2c(C(C)C)oc3cc(O)ccc3c2=O)cc1F
InChIInChI=1S/C19H17FO4/c1-10(2)19-17(11-4-7-15(23-3)14(20)8-11)18(22)13-6-5-12(21)9-16(13)24-19/h4-10,21H,1-3H3
InChIKeyUMCJSTPEPUKFKT-UHFFFAOYSA-N
XLogP4.44
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate
CID 143151693
3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one
CID 11660182
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
CID 20514160
3-fluoro-4-methoxyphenol
CID 14661613
[3-(4-chlorophenyl)-4-oxo-2-propan-2-ylchromen-7-yl] trifluoromethanesulfonate
CID 86625612
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 175439697
N-[3-(4-chlorophenyl)-4-oxo-2-propan-2-ylchromen-7-yl]-2-methylpropanamide
CID 59724302
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
3-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 86714338
3-(4-fluorophenyl)-7,8-dihydroxy-2-propan-2-ylchromen-4-one
CID 59724268
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one (CID 59724295) is 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one is COc1ccc(-c2c(C(C)C)oc3cc(O)ccc3c2=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one?
The InChIKey is UMCJSTPEPUKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-10(2)19-17(11-4-7-15(23-3)14(20)8-11)18(22)13-6-5-12(21)9-16(13)24-19/h4-10,21H,1-3H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one?
3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one has a molecular weight of 328.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one is sourced from PubChem (CID 59724295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).