CID 142199609

C23H31FO3 — CID 142199609

IUPAC—
SMILESCC1CC2CC(C)C3(OOC4(CCC(c5ccc(F)cc5)CC4)O3)C(C1)C2
InChIInChI=1S/C23H31FO3/c1-15-11-17-13-16(2)23(20(12-15)14-17)25-22(26-27-23)9-7-19(8-10-22)18-3-5-21(24)6-4-18/h3-6,15-17,19-20H,7-14H2,1-2H3
InChIKeyBSBWCFRAOHZZOA-UHFFFAOYSA-N
MW374.50 g/mol
LogP5.95
Rot. Bonds1

About CID 142199609

CID 142199609 (PubChem CID 142199609) has the molecular formula C23H31FO3 and a molecular weight of 374.50 g/mol.

Molecular Properties

Compound NameCID 142199609
PubChem CID142199609
Molecular FormulaC23H31FO3
Molecular Weight374.50 g/mol
Exact Mass374.23
IUPAC Name—
SMILESCC1CC2CC(C)C3(OOC4(CCC(c5ccc(F)cc5)CC4)O3)C(C1)C2
InChIInChI=1S/C23H31FO3/c1-15-11-17-13-16(2)23(20(12-15)14-17)25-22(26-27-23)9-7-19(8-10-22)18-3-5-21(24)6-4-18/h3-6,15-17,19-20H,7-14H2,1-2H3
InChIKeyBSBWCFRAOHZZOA-UHFFFAOYSA-N
XLogP5.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 142199609 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 142199609?
The IUPAC name of CID 142199609 (CID 142199609) is not available.
What is the SMILES notation for CID 142199609?
The canonical SMILES for CID 142199609 is CC1CC2CC(C)C3(OOC4(CCC(c5ccc(F)cc5)CC4)O3)C(C1)C2.
What is the InChIKey of CID 142199609?
The InChIKey is BSBWCFRAOHZZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FO3/c1-15-11-17-13-16(2)23(20(12-15)14-17)25-22(26-27-23)9-7-19(8-10-22)18-3-5-21(24)6-4-18/h3-6,15-17,19-20H,7-14H2,1-2H3.
What are the key properties of CID 142199609?
CID 142199609 has a molecular weight of 374.50 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142199609 is sourced from PubChem (CID 142199609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).