CID 102486919

C33H43O2P — CID 102486919

IUPAC—
SMILESCP1OC2(c3ccccc3-c3ccccc3C3(O1)C1(C)CCC(C1)C3(C)C)C1(C)CCC(C1)C2(C)C
InChIInChI=1S/C33H43O2P/c1-28(2)22-16-18-30(5,20-22)32(28)26-14-10-8-12-24(26)25-13-9-11-15-27(25)33(35-36(7)34-32)29(3,4)23-17-19-31(33,6)21-23/h8-15,22-23H,16-21H2,1-7H3
InChIKeyIEMDQQMVFIVZHG-UHFFFAOYSA-N
MW502.68 g/mol
LogP9.43
Rot. Bonds

About CID 102486919

CID 102486919 (PubChem CID 102486919) has the molecular formula C33H43O2P and a molecular weight of 502.68 g/mol.

Molecular Properties

Compound NameCID 102486919
PubChem CID102486919
Molecular FormulaC33H43O2P
Molecular Weight502.68 g/mol
Exact Mass502.30
IUPAC Name—
SMILESCP1OC2(c3ccccc3-c3ccccc3C3(O1)C1(C)CCC(C1)C3(C)C)C1(C)CCC(C1)C2(C)C
InChIInChI=1S/C33H43O2P/c1-28(2)22-16-18-30(5,20-22)32(28)26-14-10-8-12-24(26)25-13-9-11-15-27(25)33(35-36(7)34-32)29(3,4)23-17-19-31(33,6)21-23/h8-15,22-23H,16-21H2,1-7H3
InChIKeyIEMDQQMVFIVZHG-UHFFFAOYSA-N
XLogP9.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102486919?
The IUPAC name of CID 102486919 (CID 102486919) is not available.
What is the SMILES notation for CID 102486919?
The canonical SMILES for CID 102486919 is CP1OC2(c3ccccc3-c3ccccc3C3(O1)C1(C)CCC(C1)C3(C)C)C1(C)CCC(C1)C2(C)C.
What is the InChIKey of CID 102486919?
The InChIKey is IEMDQQMVFIVZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43O2P/c1-28(2)22-16-18-30(5,20-22)32(28)26-14-10-8-12-24(26)25-13-9-11-15-27(25)33(35-36(7)34-32)29(3,4)23-17-19-31(33,6)21-23/h8-15,22-23H,16-21H2,1-7H3.
What are the key properties of CID 102486919?
CID 102486919 has a molecular weight of 502.68 g/mol, XLogP of 9.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102486919 is sourced from PubChem (CID 102486919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).