1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol

C21H23NO3 — CID 90656800

IUPAC1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol
SMILESCOc1cc2ccc(C(O)(c3ccncc3)C(C)C)cc2cc1OC
InChIInChI=1S/C21H23NO3/c1-14(2)21(23,17-7-9-22-10-8-17)18-6-5-15-12-19(24-3)20(25-4)13-16(15)11-18/h5-14,23H,1-4H3
InChIKeyWLSFHVCGANYCRC-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.14
Rot. Bonds5

About 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol

1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol (PubChem CID 90656800) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol
PubChem CID90656800
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol
SMILESCOc1cc2ccc(C(O)(c3ccncc3)C(C)C)cc2cc1OC
InChIInChI=1S/C21H23NO3/c1-14(2)21(23,17-7-9-22-10-8-17)18-6-5-15-12-19(24-3)20(25-4)13-16(15)11-18/h5-14,23H,1-4H3
InChIKeyWLSFHVCGANYCRC-UHFFFAOYSA-N
XLogP4.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol (CID 90656800) is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol is COc1cc2ccc(C(O)(c3ccncc3)C(C)C)cc2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol?
The InChIKey is WLSFHVCGANYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14(2)21(23,17-7-9-22-10-8-17)18-6-5-15-12-19(24-3)20(25-4)13-16(15)11-18/h5-14,23H,1-4H3.
What are the key properties of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol?
1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol has a molecular weight of 337.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 90656800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).