CID 15960717

C23H22O2 — CID 15960717

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21OOC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C23H22O2/c1-3-7-20-18(5-1)19-6-2-4-8-21(19)23(20)22(24-25-23)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2
InChIKeyJXYZJIXSXQNJKJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.07
Rot. Bonds

About CID 15960717

CID 15960717 (PubChem CID 15960717) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol.

Molecular Properties

Compound NameCID 15960717
PubChem CID15960717
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21OOC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C23H22O2/c1-3-7-20-18(5-1)19-6-2-4-8-21(19)23(20)22(24-25-23)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2
InChIKeyJXYZJIXSXQNJKJ-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 15960717?
The IUPAC name of CID 15960717 (CID 15960717) is not available.
What is the SMILES notation for CID 15960717?
The canonical SMILES for CID 15960717 is c1ccc2c(c1)-c1ccccc1C21OOC12C1CC3CC(C1)CC2C3.
What is the InChIKey of CID 15960717?
The InChIKey is JXYZJIXSXQNJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-3-7-20-18(5-1)19-6-2-4-8-21(19)23(20)22(24-25-23)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2.
What are the key properties of CID 15960717?
CID 15960717 has a molecular weight of 330.43 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15960717 is sourced from PubChem (CID 15960717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).