CID 23417331

C18H18O6P- — CID 23417331

IUPAC—
SMILESc1ccc(C2=C(c3ccccc3)O[P-]34(OCCO3)(OCCO4)O2)cc1
InChIInChI=1S/C18H18O6P/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)24-25(23-17,19-11-12-20-25)21-13-14-22-25/h1-10H,11-14H2/q-1
InChIKeyQDQPZXLNDKOYDL-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.23
Rot. Bonds2

About CID 23417331

CID 23417331 (PubChem CID 23417331) has the molecular formula C18H18O6P- and a molecular weight of 361.31 g/mol.

Molecular Properties

Compound NameCID 23417331
PubChem CID23417331
Molecular FormulaC18H18O6P-
Molecular Weight361.31 g/mol
Exact Mass361.08
IUPAC Name—
SMILESc1ccc(C2=C(c3ccccc3)O[P-]34(OCCO3)(OCCO4)O2)cc1
InChIInChI=1S/C18H18O6P/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)24-25(23-17,19-11-12-20-25)21-13-14-22-25/h1-10H,11-14H2/q-1
InChIKeyQDQPZXLNDKOYDL-UHFFFAOYSA-N
XLogP4.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 23417331 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 23417331?
The IUPAC name of CID 23417331 (CID 23417331) is not available.
What is the SMILES notation for CID 23417331?
The canonical SMILES for CID 23417331 is c1ccc(C2=C(c3ccccc3)O[P-]34(OCCO3)(OCCO4)O2)cc1.
What is the InChIKey of CID 23417331?
The InChIKey is QDQPZXLNDKOYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6P/c1-3-7-15(8-4-1)17-18(16-9-5-2-6-10-16)24-25(23-17,19-11-12-20-25)21-13-14-22-25/h1-10H,11-14H2/q-1.
What are the key properties of CID 23417331?
CID 23417331 has a molecular weight of 361.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23417331 is sourced from PubChem (CID 23417331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).