2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C14H16N2O2 — CID 13135481

IUPAC2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(n1ccnc1)CC2
InChIInChI=1S/C14H16N2O2/c1-18-11-4-2-10-3-5-13(14(17)12(10)8-11)16-7-6-15-9-16/h2,4,6-9,13-14,17H,3,5H2,1H3
InChIKeyVVFFIGADLXLSFZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.11
Rot. Bonds2

About 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13135481) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13135481
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)C(O)C(n1ccnc1)CC2
InChIInChI=1S/C14H16N2O2/c1-18-11-4-2-10-3-5-13(14(17)12(10)8-11)16-7-6-15-9-16/h2,4,6-9,13-14,17H,3,5H2,1H3
InChIKeyVVFFIGADLXLSFZ-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13135481) is 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1)C(O)C(n1ccnc1)CC2.
What is the InChIKey of 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is VVFFIGADLXLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-11-4-2-10-3-5-13(14(17)12(10)8-11)16-7-6-15-9-16/h2,4,6-9,13-14,17H,3,5H2,1H3.
What are the key properties of 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 244.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13135481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).