4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol

C24H27NO2 — CID 44522522

IUPAC4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27NO2/c1-17-13-21(26)23-20(15-24(2,3)27-22(23)14-17)19-9-11-25(12-10-19)16-18-7-5-4-6-8-18/h4-9,13-15,26H,10-12,16H2,1-3H3
InChIKeyJGFUFQSXEHUHTN-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.09
Rot. Bonds3

About 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol

4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol (PubChem CID 44522522) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol.

Molecular Properties

Compound Name4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol
PubChem CID44522522
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27NO2/c1-17-13-21(26)23-20(15-24(2,3)27-22(23)14-17)19-9-11-25(12-10-19)16-18-7-5-4-6-8-18/h4-9,13-15,26H,10-12,16H2,1-3H3
InChIKeyJGFUFQSXEHUHTN-UHFFFAOYSA-N
XLogP5.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol?
The IUPAC name of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol (CID 44522522) is 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol.
What is the SMILES notation for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol?
The canonical SMILES for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol is Cc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol?
The InChIKey is JGFUFQSXEHUHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-17-13-21(26)23-20(15-24(2,3)27-22(23)14-17)19-9-11-25(12-10-19)16-18-7-5-4-6-8-18/h4-9,13-15,26H,10-12,16H2,1-3H3.
What are the key properties of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol?
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol has a molecular weight of 361.49 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,2,7-trimethylchromen-5-ol is sourced from PubChem (CID 44522522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).