CID 102143449

C17H18O3P — CID 102143449

IUPAC—
SMILESCOC([O])=C(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O3P/c1-14(17(18)20-2)13-21(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyDDYMZYQXZNDFAH-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.31
Rot. Bonds5

About CID 102143449

CID 102143449 (PubChem CID 102143449) has the molecular formula C17H18O3P and a molecular weight of 301.30 g/mol.

Molecular Properties

Compound NameCID 102143449
PubChem CID102143449
Molecular FormulaC17H18O3P
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name—
SMILESCOC([O])=C(C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O3P/c1-14(17(18)20-2)13-21(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyDDYMZYQXZNDFAH-UHFFFAOYSA-N
XLogP3.31
TPSA46.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 102143449?
The IUPAC name of CID 102143449 (CID 102143449) is not available.
What is the SMILES notation for CID 102143449?
The canonical SMILES for CID 102143449 is COC([O])=C(C)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 102143449?
The InChIKey is DDYMZYQXZNDFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3P/c1-14(17(18)20-2)13-21(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of CID 102143449?
CID 102143449 has a molecular weight of 301.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102143449 is sourced from PubChem (CID 102143449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).