3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol

C22H21NO4 — CID 19991535

IUPAC3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(OC2COc3ccc(OCc4ccccc4)cc3C2O)cn1
InChIInChI=1S/C22H21NO4/c1-15-7-8-18(12-23-15)27-21-14-26-20-10-9-17(11-19(20)22(21)24)25-13-16-5-3-2-4-6-16/h2-12,21-22,24H,13-14H2,1H3
InChIKeyPRRWGEAZBNVRPO-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.84
Rot. Bonds5

About 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol

3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 19991535) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID19991535
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(OC2COc3ccc(OCc4ccccc4)cc3C2O)cn1
InChIInChI=1S/C22H21NO4/c1-15-7-8-18(12-23-15)27-21-14-26-20-10-9-17(11-19(20)22(21)24)25-13-16-5-3-2-4-6-16/h2-12,21-22,24H,13-14H2,1H3
InChIKeyPRRWGEAZBNVRPO-UHFFFAOYSA-N
XLogP3.84
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol (CID 19991535) is 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol is Cc1ccc(OC2COc3ccc(OCc4ccccc4)cc3C2O)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PRRWGEAZBNVRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15-7-8-18(12-23-15)27-21-14-26-20-10-9-17(11-19(20)22(21)24)25-13-16-5-3-2-4-6-16/h2-12,21-22,24H,13-14H2,1H3.
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol?
3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 363.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 19991535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).