CID 11193818

C25H28O2P — CID 11193818

IUPAC—
SMILESC[C]1[CH][C](C(C)(C)C)[CH][C]1C(=O)OCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2P/c1-19-17-20(25(2,3)4)18-23(19)24(26)27-15-16-28(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18H,15-16H2,1-4H3
InChIKeyPHBKWIFCAZFEJM-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.87
Rot. Bonds6

About CID 11193818

CID 11193818 (PubChem CID 11193818) has the molecular formula C25H28O2P and a molecular weight of 391.47 g/mol.

Molecular Properties

Compound NameCID 11193818
PubChem CID11193818
Molecular FormulaC25H28O2P
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name—
SMILESC[C]1[CH][C](C(C)(C)C)[CH][C]1C(=O)OCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2P/c1-19-17-20(25(2,3)4)18-23(19)24(26)27-15-16-28(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18H,15-16H2,1-4H3
InChIKeyPHBKWIFCAZFEJM-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11999490
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4,4-dimethylpentyl benzoate
CID 138733970
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
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(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
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Frequently Asked Questions

What is the IUPAC name of CID 11193818?
The IUPAC name of CID 11193818 (CID 11193818) is not available.
What is the SMILES notation for CID 11193818?
The canonical SMILES for CID 11193818 is C[C]1[CH][C](C(C)(C)C)[CH][C]1C(=O)OCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 11193818?
The InChIKey is PHBKWIFCAZFEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2P/c1-19-17-20(25(2,3)4)18-23(19)24(26)27-15-16-28(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of CID 11193818?
CID 11193818 has a molecular weight of 391.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11193818 is sourced from PubChem (CID 11193818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).