2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one

C14H14N2O2 — CID 13135487

IUPAC2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc2c1CCC(n1ccnc1)C2=O
InChIInChI=1S/C14H14N2O2/c1-18-13-4-2-3-11-10(13)5-6-12(14(11)17)16-8-7-15-9-16/h2-4,7-9,12H,5-6H2,1H3
InChIKeyKMKZPUFACJKPOF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.26
Rot. Bonds2

About 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one

2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13135487) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13135487
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc2c1CCC(n1ccnc1)C2=O
InChIInChI=1S/C14H14N2O2/c1-18-13-4-2-3-11-10(13)5-6-12(14(11)17)16-8-7-15-9-16/h2-4,7-9,12H,5-6H2,1H3
InChIKeyKMKZPUFACJKPOF-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 13135487) is 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1cccc2c1CCC(n1ccnc1)C2=O.
What is the InChIKey of 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KMKZPUFACJKPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-4-2-3-11-10(13)5-6-12(14(11)17)16-8-7-15-9-16/h2-4,7-9,12H,5-6H2,1H3.
What are the key properties of 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 242.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13135487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).