5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H22N2O2 — CID 66152504

IUPAC5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)n1cncc1COc1cccc2c1CCCC2O
InChIInChI=1S/C17H22N2O2/c1-12(2)19-11-18-9-13(19)10-21-17-8-4-5-14-15(17)6-3-7-16(14)20/h4-5,8-9,11-12,16,20H,3,6-7,10H2,1-2H3
InChIKeyQMNGBTFVOOYBAA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.41
Rot. Bonds4

About 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 66152504) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID66152504
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)n1cncc1COc1cccc2c1CCCC2O
InChIInChI=1S/C17H22N2O2/c1-12(2)19-11-18-9-13(19)10-21-17-8-4-5-14-15(17)6-3-7-16(14)20/h4-5,8-9,11-12,16,20H,3,6-7,10H2,1-2H3
InChIKeyQMNGBTFVOOYBAA-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 66152504) is 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)n1cncc1COc1cccc2c1CCCC2O.
What is the InChIKey of 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is QMNGBTFVOOYBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)19-11-18-9-13(19)10-21-17-8-4-5-14-15(17)6-3-7-16(14)20/h4-5,8-9,11-12,16,20H,3,6-7,10H2,1-2H3.
What are the key properties of 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 286.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 66152504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).