1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one

C29H23NO5 — CID 10863568

IUPAC1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
SMILESCn1cc(OCc2ccccc2)c(=O)cc1COc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C29H23NO5/c1-30-17-29(34-18-20-8-4-2-5-9-20)26(32)14-22(30)19-33-23-12-13-27-24(15-23)25(31)16-28(35-27)21-10-6-3-7-11-21/h2-17H,18-19H2,1H3
InChIKeyMMEDTJRJDGKTJY-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.32
Rot. Bonds7

About 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one

1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one (PubChem CID 10863568) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
PubChem CID10863568
Molecular FormulaC29H23NO5
Molecular Weight465.51 g/mol
Exact Mass465.16
IUPAC Name1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one
SMILESCn1cc(OCc2ccccc2)c(=O)cc1COc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C29H23NO5/c1-30-17-29(34-18-20-8-4-2-5-9-20)26(32)14-22(30)19-33-23-12-13-27-24(15-23)25(31)16-28(35-27)21-10-6-3-7-11-21/h2-17H,18-19H2,1H3
InChIKeyMMEDTJRJDGKTJY-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]pyridin-4-one
CID 11014249
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
CID 66878364

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one?
The IUPAC name of 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one (CID 10863568) is 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one is Cn1cc(OCc2ccccc2)c(=O)cc1COc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one?
The InChIKey is MMEDTJRJDGKTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c1-30-17-29(34-18-20-8-4-2-5-9-20)26(32)14-22(30)19-33-23-12-13-27-24(15-23)25(31)16-28(35-27)21-10-6-3-7-11-21/h2-17H,18-19H2,1H3.
What are the key properties of 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one?
1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one has a molecular weight of 465.51 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-oxo-2-phenylchromen-6-yl)oxymethyl]-5-phenylmethoxypyridin-4-one is sourced from PubChem (CID 10863568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).