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

C23H23NO3 — CID 19600655

IUPAC3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(COc2ccc3c(c2)C(O)C(Cc2ccccc2)CO3)n1
InChIInChI=1S/C23H23NO3/c1-16-6-5-9-19(24-16)15-26-20-10-11-22-21(13-20)23(25)18(14-27-22)12-17-7-3-2-4-8-17/h2-11,13,18,23,25H,12,14-15H2,1H3
InChIKeyHFQUGJPWMRBFNY-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.25
Rot. Bonds5

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

3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 19600655) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol
PubChem CID19600655
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cccc(COc2ccc3c(c2)C(O)C(Cc2ccccc2)CO3)n1
InChIInChI=1S/C23H23NO3/c1-16-6-5-9-19(24-16)15-26-20-10-11-22-21(13-20)23(25)18(14-27-22)12-17-7-3-2-4-8-17/h2-11,13,18,23,25H,12,14-15H2,1H3
InChIKeyHFQUGJPWMRBFNY-UHFFFAOYSA-N
XLogP4.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol (CID 19600655) is 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol is Cc1cccc(COc2ccc3c(c2)C(O)C(Cc2ccccc2)CO3)n1.
What is the InChIKey of 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HFQUGJPWMRBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-6-5-9-19(24-16)15-26-20-10-11-22-21(13-20)23(25)18(14-27-22)12-17-7-3-2-4-8-17/h2-11,13,18,23,25H,12,14-15H2,1H3.
What are the key properties of 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol?
3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 361.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[(6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 19600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).