6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one

C36H37NO2 — CID 18794698

IUPAC6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CCC1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C36H37NO2/c38-36-31(20-23-37-21-18-30(19-22-37)28-9-3-1-4-10-28)14-15-33-25-34(16-17-35(33)36)39-26-27-8-7-13-32(24-27)29-11-5-2-6-12-29/h1-13,16-17,24-25,30-31H,14-15,18-23,26H2
InChIKeyJQFIBEBVODCPDV-UHFFFAOYSA-N
MW515.70 g/mol
LogP7.95
Rot. Bonds8

About 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one

6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 18794698) has the molecular formula C36H37NO2 and a molecular weight of 515.70 g/mol. Its IUPAC name is 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID18794698
Molecular FormulaC36H37NO2
Molecular Weight515.70 g/mol
Exact Mass515.28
IUPAC Name6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CCC1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C36H37NO2/c38-36-31(20-23-37-21-18-30(19-22-37)28-9-3-1-4-10-28)14-15-33-25-34(16-17-35(33)36)39-26-27-8-7-13-32(24-27)29-11-5-2-6-12-29/h1-13,16-17,24-25,30-31H,14-15,18-23,26H2
InChIKeyJQFIBEBVODCPDV-UHFFFAOYSA-N
XLogP7.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 18794698) is 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CCC1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JQFIBEBVODCPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NO2/c38-36-31(20-23-37-21-18-30(19-22-37)28-9-3-1-4-10-28)14-15-33-25-34(16-17-35(33)36)39-26-27-8-7-13-32(24-27)29-11-5-2-6-12-29/h1-13,16-17,24-25,30-31H,14-15,18-23,26H2.
What are the key properties of 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 515.70 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-phenylphenyl)methoxy]-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 18794698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).