6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one

C16H20O2 — CID 21444523

IUPAC6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OC3CCCCC3)ccc21
InChIInChI=1S/C16H20O2/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h9-11,13H,1-8H2
InChIKeyKXQBFGQTUMLDPP-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.92
Rot. Bonds2

About 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one

6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 21444523) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID21444523
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OC3CCCCC3)ccc21
InChIInChI=1S/C16H20O2/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h9-11,13H,1-8H2
InChIKeyKXQBFGQTUMLDPP-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one (CID 21444523) is 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OC3CCCCC3)ccc21.
What is the InChIKey of 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KXQBFGQTUMLDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h9-11,13H,1-8H2.
What are the key properties of 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one?
6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 21444523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).