1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

C18H21NO2 — CID 105081457

IUPAC1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESCOc1ncccc1C(O)CC1CCCc2ccccc21
InChIInChI=1S/C18H21NO2/c1-21-18-16(10-5-11-19-18)17(20)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-3,5-6,9-11,14,17,20H,4,7-8,12H2,1H3
InChIKeyCDIOQRYGRVPGCN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 105081457) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
PubChem CID105081457
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESCOc1ncccc1C(O)CC1CCCc2ccccc21
InChIInChI=1S/C18H21NO2/c1-21-18-16(10-5-11-19-18)17(20)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-3,5-6,9-11,14,17,20H,4,7-8,12H2,1H3
InChIKeyCDIOQRYGRVPGCN-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
CID 105100853
1-(3-methyl-2-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773352
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
1-(5-amino-1H-pyrazol-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 65362259
[1-pyrimidin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105203641
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanol
CID 63771282
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 116713603
1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 114557066

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (CID 105081457) is 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is COc1ncccc1C(O)CC1CCCc2ccccc21.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is CDIOQRYGRVPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-18-16(10-5-11-19-18)17(20)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-3,5-6,9-11,14,17,20H,4,7-8,12H2,1H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 105081457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).