4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid

C20H18O7 — CID 166083279

IUPAC4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
SMILESO=C(O)C1OC(c2ccccc2)OC2C3OC(c4ccccc4)OC3OC12
InChIInChI=1S/C20H18O7/c21-17(22)15-13-14(23-18(25-15)11-7-3-1-4-8-11)16-20(24-13)27-19(26-16)12-9-5-2-6-10-12/h1-10,13-16,18-20H,(H,21,22)
InChIKeyXZLWCODUHLYNSK-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.39
Rot. Bonds3

About 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid

4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid (PubChem CID 166083279) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid.

Molecular Properties

Compound Name4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
PubChem CID166083279
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
SMILESO=C(O)C1OC(c2ccccc2)OC2C3OC(c4ccccc4)OC3OC12
InChIInChI=1S/C20H18O7/c21-17(22)15-13-14(23-18(25-15)11-7-3-1-4-8-11)16-20(24-13)27-19(26-16)12-9-5-2-6-10-12/h1-10,13-16,18-20H,(H,21,22)
InChIKeyXZLWCODUHLYNSK-UHFFFAOYSA-N
XLogP2.39
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid?
The IUPAC name of 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid (CID 166083279) is 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid.
What is the SMILES notation for 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid?
The canonical SMILES for 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid is O=C(O)C1OC(c2ccccc2)OC2C3OC(c4ccccc4)OC3OC12.
What is the InChIKey of 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid?
The InChIKey is XZLWCODUHLYNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c21-17(22)15-13-14(23-18(25-15)11-7-3-1-4-8-11)16-20(24-13)27-19(26-16)12-9-5-2-6-10-12/h1-10,13-16,18-20H,(H,21,22).
What are the key properties of 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid?
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid is sourced from PubChem (CID 166083279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).