6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane

C22H19ClO — CID 172635858

IUPAC6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane
SMILESClc1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19ClO/c23-19-9-7-16(8-10-19)20-12-22(13-24-14-22)21(20)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,20-21H,12-14H2
InChIKeyLKRSBCSTSWNYEA-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.78
Rot. Bonds2

About 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane

6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane (PubChem CID 172635858) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane
PubChem CID172635858
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane
SMILESClc1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H19ClO/c23-19-9-7-16(8-10-19)20-12-22(13-24-14-22)21(20)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,20-21H,12-14H2
InChIKeyLKRSBCSTSWNYEA-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
The IUPAC name of 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane (CID 172635858) is 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
The canonical SMILES for 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane is Clc1ccc(C2CC3(COC3)C2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
The InChIKey is LKRSBCSTSWNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO/c23-19-9-7-16(8-10-19)20-12-22(13-24-14-22)21(20)18-6-5-15-3-1-2-4-17(15)11-18/h1-11,20-21H,12-14H2.
What are the key properties of 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane?
6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane has a molecular weight of 334.85 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 172635858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).