6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one

C18H18O2 — CID 13067331

IUPAC6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCCc3ccccc3)ccc21
InChIInChI=1S/C18H18O2/c19-18-8-4-7-15-13-16(9-10-17(15)18)20-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyLPWZNRVUIMFZPF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds4

About 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 13067331) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID13067331
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCCc3ccccc3)ccc21
InChIInChI=1S/C18H18O2/c19-18-8-4-7-15-13-16(9-10-17(15)18)20-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2
InChIKeyLPWZNRVUIMFZPF-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 13067331) is 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCCc3ccccc3)ccc21.
What is the InChIKey of 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LPWZNRVUIMFZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18-8-4-7-15-13-16(9-10-17(15)18)20-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2.
What are the key properties of 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 13067331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).