1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol

C18H17NO2 — CID 25034425

IUPAC1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol
SMILESCOc1ccc2cc(-c3cncc(C(C)O)c3)ccc2c1
InChIInChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3
InChIKeyASWKCKDDNLWVOJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.96
Rot. Bonds3

About 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol

1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol (PubChem CID 25034425) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol
PubChem CID25034425
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol
SMILESCOc1ccc2cc(-c3cncc(C(C)O)c3)ccc2c1
InChIInChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3
InChIKeyASWKCKDDNLWVOJ-UHFFFAOYSA-N
XLogP3.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol (CID 25034425) is 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol is COc1ccc2cc(-c3cncc(C(C)O)c3)ccc2c1.
What is the InChIKey of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol?
The InChIKey is ASWKCKDDNLWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-12,20H,1-2H3.
What are the key properties of 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol?
1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol has a molecular weight of 279.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 25034425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).