5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]

C43H34O2 — CID 177083181

About 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]

5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane] (PubChem CID 177083181) has the molecular formula C43H34O2 and a molecular weight of 582.74 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane].

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]
• PubChem CID: 177083181
• Molecular Formula: C43H34O2
• Molecular Weight: 582.74 g/mol
• Exact Mass: 582.26
• IUPAC Name: 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]
• SMILES: COc1ccc(C2(c3ccc4ccccc4c3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C42CC3CCC2C3)cc1
• InChI: InChI=1S/C43H34O2/c1-44-33-20-18-30(19-21-33)43(32-17-15-28-8-2-3-9-29(28)25-32)23-22-37-40-39(34-10-4-5-11-35(34)41(37)45-43)36-12-6-7-13-38(36)42(40)26-27-14-16-31(42)24-27/h2-13,15,17-23,25,27,31H,14,16,24,26H2,1H3
• InChIKey: CUIRVKDBDFASBR-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.74
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]?

The IUPAC name of 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane] (CID 177083181) is 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane].

What is the SMILES notation for 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]?

The canonical SMILES for 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane] is COc1ccc(C2(c3ccc4ccccc4c3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C42CC3CCC2C3)cc1.

What is the InChIKey of 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]?

The InChIKey is CUIRVKDBDFASBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34O2/c1-44-33-20-18-30(19-21-33)43(32-17-15-28-8-2-3-9-29(28)25-32)23-22-37-40-39(34-10-4-5-11-35(34)41(37)45-43)36-12-6-7-13-38(36)42(40)26-27-14-16-31(42)24-27/h2-13,15,17-23,25,27,31H,14,16,24,26H2,1H3.

What are the key properties of 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]?

5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane] has a molecular weight of 582.74 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-5-naphthalen-2-ylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 177083181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).