5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol

C17H15NO2 — CID 121005494

IUPAC5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol
SMILESCOc1cccc2c(Cc3ccncc3)c(O)ccc12
InChIInChI=1S/C17H15NO2/c1-20-17-4-2-3-13-14(17)5-6-16(19)15(13)11-12-7-9-18-10-8-12/h2-10,19H,11H2,1H3
InChIKeyBRSRRKDGNTUPBX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.54
Rot. Bonds3

About 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol

5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol (PubChem CID 121005494) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol.

Molecular Properties

Compound Name5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol
PubChem CID121005494
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol
SMILESCOc1cccc2c(Cc3ccncc3)c(O)ccc12
InChIInChI=1S/C17H15NO2/c1-20-17-4-2-3-13-14(17)5-6-16(19)15(13)11-12-7-9-18-10-8-12/h2-10,19H,11H2,1H3
InChIKeyBRSRRKDGNTUPBX-UHFFFAOYSA-N
XLogP3.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol?
The IUPAC name of 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol (CID 121005494) is 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol.
What is the SMILES notation for 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol?
The canonical SMILES for 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol is COc1cccc2c(Cc3ccncc3)c(O)ccc12.
What is the InChIKey of 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol?
The InChIKey is BRSRRKDGNTUPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-17-4-2-3-13-14(17)5-6-16(19)15(13)11-12-7-9-18-10-8-12/h2-10,19H,11H2,1H3.
What are the key properties of 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol?
5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol has a molecular weight of 265.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(pyridin-4-ylmethyl)naphthalen-2-ol is sourced from PubChem (CID 121005494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).