3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one

C22H19NO4 — CID 19091476

IUPAC3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one
SMILESCc1ncccc1OC1COc2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C22H19NO4/c1-15-19(8-5-11-23-15)27-21-14-26-20-10-9-17(12-18(20)22(21)24)25-13-16-6-3-2-4-7-16/h2-12,21H,13-14H2,1H3
InChIKeyQIXRRAIKBYYZHT-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.99
Rot. Bonds5

About 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one

3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one (PubChem CID 19091476) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one
PubChem CID19091476
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one
SMILESCc1ncccc1OC1COc2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C22H19NO4/c1-15-19(8-5-11-23-15)27-21-14-26-20-10-9-17(12-18(20)22(21)24)25-13-16-6-3-2-4-7-16/h2-12,21H,13-14H2,1H3
InChIKeyQIXRRAIKBYYZHT-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one (CID 19091476) is 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one is Cc1ncccc1OC1COc2ccc(OCc3ccccc3)cc2C1=O.
What is the InChIKey of 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one?
The InChIKey is QIXRRAIKBYYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-19(8-5-11-23-15)27-21-14-26-20-10-9-17(12-18(20)22(21)24)25-13-16-6-3-2-4-7-16/h2-12,21H,13-14H2,1H3.
What are the key properties of 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one?
3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one has a molecular weight of 361.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 19091476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).