7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one

C22H19NO4 — CID 156870805

IUPAC7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C(Oc2ccc3c(c2)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C22H19NO4/c1-25-17-4-2-15(3-5-17)22(16-8-11-23-12-9-16)27-18-6-7-19-20(24)10-13-26-21(19)14-18/h2-9,11-12,14,22H,10,13H2,1H3
InChIKeyUVPPSNMYKKNVDX-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.22
Rot. Bonds5

About 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one

7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one (PubChem CID 156870805) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
PubChem CID156870805
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C(Oc2ccc3c(c2)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C22H19NO4/c1-25-17-4-2-15(3-5-17)22(16-8-11-23-12-9-16)27-18-6-7-19-20(24)10-13-26-21(19)14-18/h2-9,11-12,14,22H,10,13H2,1H3
InChIKeyUVPPSNMYKKNVDX-UHFFFAOYSA-N
XLogP4.22
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one (CID 156870805) is 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one is COc1ccc(C(Oc2ccc3c(c2)OCCC3=O)c2ccncc2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
The InChIKey is UVPPSNMYKKNVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-17-4-2-15(3-5-17)22(16-8-11-23-12-9-16)27-18-6-7-19-20(24)10-13-26-21(19)14-18/h2-9,11-12,14,22H,10,13H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one has a molecular weight of 361.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156870805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).