18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione

C30H32O5 — CID 3799691

About 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione

18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione (PubChem CID 3799691) has the molecular formula C30H32O5 and a molecular weight of 472.58 g/mol. Its IUPAC name is 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione.

Molecular Properties

• Compound Name: 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
• PubChem CID: 3799691
• Molecular Formula: C30H32O5
• Molecular Weight: 472.58 g/mol
• Exact Mass: 472.22
• IUPAC Name: 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
• SMILES: Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)C=CCCCC(=O)CCCC(C)OC2=O
• InChI: InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3
• InChIKey: UINLHSBPGMDTHH-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.58
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione?

The IUPAC name of 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione (CID 3799691) is 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione.

What is the SMILES notation for 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione?

The canonical SMILES for 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione is Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)C=CCCCC(=O)CCCC(C)OC2=O.

What is the InChIKey of 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione?

The InChIKey is UINLHSBPGMDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3.

What are the key properties of 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione?

18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione has a molecular weight of 472.58 g/mol, XLogP of 6.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18-hydroxy-4-methyl-16-[(2-methylnaphthalen-1-yl)methoxy]-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione is sourced from PubChem (CID 3799691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).