6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one

C21H20N2O2 — CID 10088145

IUPAC6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(O[C@@H](Cn3ccnc3)c3ccccc3)ccc21
InChIInChI=1S/C21H20N2O2/c24-20-8-4-7-17-13-18(9-10-19(17)20)25-21(14-23-12-11-22-15-23)16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21H,4,7-8,14H2/t21-/m0/s1
InChIKeyODLMFTZMTAYVCA-NRFANRHFSA-N
MW332.40 g/mol
LogP4.22
Rot. Bonds5

About 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10088145) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10088145
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(O[C@@H](Cn3ccnc3)c3ccccc3)ccc21
InChIInChI=1S/C21H20N2O2/c24-20-8-4-7-17-13-18(9-10-19(17)20)25-21(14-23-12-11-22-15-23)16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21H,4,7-8,14H2/t21-/m0/s1
InChIKeyODLMFTZMTAYVCA-NRFANRHFSA-N
XLogP4.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 10088145) is 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(O[C@@H](Cn3ccnc3)c3ccccc3)ccc21.
What is the InChIKey of 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ODLMFTZMTAYVCA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20-8-4-7-17-13-18(9-10-19(17)20)25-21(14-23-12-11-22-15-23)16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21H,4,7-8,14H2/t21-/m0/s1.
What are the key properties of 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 332.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10088145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).