benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane

C14H15OPS — CID 598912

IUPACbenzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15OPS/c1-15-16(17,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyJDEOTUGHIVHBBW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.55
Rot. Bonds4

About benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane

benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane (PubChem CID 598912) has the molecular formula C14H15OPS and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebenzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
PubChem CID598912
Molecular FormulaC14H15OPS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Namebenzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15OPS/c1-15-16(17,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyJDEOTUGHIVHBBW-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane 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 benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane (CID 598912) is benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane is COP(=S)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is JDEOTUGHIVHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OPS/c1-15-16(17,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3.
What are the key properties of benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane?
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 262.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 598912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).