7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane

C22H20O — CID 172635855

IUPAC7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane
SMILESc1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O/c1-2-7-17(8-3-1)20-13-22(14-23-15-22)21(20)19-11-10-16-6-4-5-9-18(16)12-19/h1-12,20-21H,13-15H2
InChIKeyIPXUCJLDTLVBRG-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.13
Rot. Bonds2

About 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane

7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane (PubChem CID 172635855) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane
PubChem CID172635855
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane
SMILESc1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O/c1-2-7-17(8-3-1)20-13-22(14-23-15-22)21(20)19-11-10-16-6-4-5-9-18(16)12-19/h1-12,20-21H,13-15H2
InChIKeyIPXUCJLDTLVBRG-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane?
The IUPAC name of 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane (CID 172635855) is 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane?
The canonical SMILES for 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane is c1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane?
The InChIKey is IPXUCJLDTLVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-2-7-17(8-3-1)20-13-22(14-23-15-22)21(20)19-11-10-16-6-4-5-9-18(16)12-19/h1-12,20-21H,13-15H2.
What are the key properties of 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane?
7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane has a molecular weight of 300.40 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-6-phenyl-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 172635855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).