CID 101005232

C22H24NO3 — CID 101005232

IUPAC—
SMILESCC1(C)C=C(c2ccc(O)c(C(=O)c3ccccc3)c2)CC(C)(C)N1[O]
InChIInChI=1S/C22H24NO3/c1-21(2)13-17(14-22(3,4)23(21)26)16-10-11-19(24)18(12-16)20(25)15-8-6-5-7-9-15/h5-13,24H,14H2,1-4H3
InChIKeyWCZVNUXLCVQYCW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.61
Rot. Bonds3

About CID 101005232

CID 101005232 (PubChem CID 101005232) has the molecular formula C22H24NO3 and a molecular weight of 350.44 g/mol.

Molecular Properties

Compound NameCID 101005232
PubChem CID101005232
Molecular FormulaC22H24NO3
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name—
SMILESCC1(C)C=C(c2ccc(O)c(C(=O)c3ccccc3)c2)CC(C)(C)N1[O]
InChIInChI=1S/C22H24NO3/c1-21(2)13-17(14-22(3,4)23(21)26)16-10-11-19(24)18(12-16)20(25)15-8-6-5-7-9-15/h5-13,24H,14H2,1-4H3
InChIKeyWCZVNUXLCVQYCW-UHFFFAOYSA-N
XLogP4.61
TPSA60.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 101005232?
The IUPAC name of CID 101005232 (CID 101005232) is not available.
What is the SMILES notation for CID 101005232?
The canonical SMILES for CID 101005232 is CC1(C)C=C(c2ccc(O)c(C(=O)c3ccccc3)c2)CC(C)(C)N1[O].
What is the InChIKey of CID 101005232?
The InChIKey is WCZVNUXLCVQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO3/c1-21(2)13-17(14-22(3,4)23(21)26)16-10-11-19(24)18(12-16)20(25)15-8-6-5-7-9-15/h5-13,24H,14H2,1-4H3.
What are the key properties of CID 101005232?
CID 101005232 has a molecular weight of 350.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101005232 is sourced from PubChem (CID 101005232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).