3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one

C17H13BrO4 — CID 154926299

IUPAC3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
SMILESCCOc1cc(O)c2c(=O)c(-c3ccc(Br)cc3)coc2c1
InChIInChI=1S/C17H13BrO4/c1-2-21-12-7-14(19)16-15(8-12)22-9-13(17(16)20)10-3-5-11(18)6-4-10/h3-9,19H,2H2,1H3
InChIKeyHMZJXXSPRVKIKD-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.33
Rot. Bonds3

About 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one

3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one (PubChem CID 154926299) has the molecular formula C17H13BrO4 and a molecular weight of 361.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
PubChem CID154926299
Molecular FormulaC17H13BrO4
Molecular Weight361.19 g/mol
Exact Mass360.00
IUPAC Name3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
SMILESCCOc1cc(O)c2c(=O)c(-c3ccc(Br)cc3)coc2c1
InChIInChI=1S/C17H13BrO4/c1-2-21-12-7-14(19)16-15(8-12)22-9-13(17(16)20)10-3-5-11(18)6-4-10/h3-9,19H,2H2,1H3
InChIKeyHMZJXXSPRVKIKD-UHFFFAOYSA-N
XLogP4.33
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxy-5-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 99975686
7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
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7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
CID 11271963
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570
3-[4-(4-bromobutoxy)phenyl]-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 141260005
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
5-[7-(2-bromoethoxy)-5-hydroxy-4-oxochromen-3-yl]-2-hydroxybenzenesulfonic acid
CID 141070425
CID 66722646
CID 66722646
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
CID 71664178

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one?
The IUPAC name of 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one (CID 154926299) is 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one?
The canonical SMILES for 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one is CCOc1cc(O)c2c(=O)c(-c3ccc(Br)cc3)coc2c1.
What is the InChIKey of 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one?
The InChIKey is HMZJXXSPRVKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO4/c1-2-21-12-7-14(19)16-15(8-12)22-9-13(17(16)20)10-3-5-11(18)6-4-10/h3-9,19H,2H2,1H3.
What are the key properties of 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one?
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one has a molecular weight of 361.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one is sourced from PubChem (CID 154926299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).