methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane

C10H13O2PS — CID 54357760

IUPACmethoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OC)c1ccccc1
InChIInChI=1S/C10H13O2PS/c1-3-9-12-13(14,11-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyUKHZKDGOQGDIKL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.47
Rot. Bonds5

About methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane

methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane (PubChem CID 54357760) has the molecular formula C10H13O2PS and a molecular weight of 228.25 g/mol. Its IUPAC name is methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane
PubChem CID54357760
Molecular FormulaC10H13O2PS
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Namemethoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane
SMILESC=CCOP(=S)(OC)c1ccccc1
InChIInChI=1S/C10H13O2PS/c1-3-9-12-13(14,11-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyUKHZKDGOQGDIKL-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
CID 12650712
dihydroxy-prop-2-enoxy-sulfanylidene-λ5-phosphane;phenol
CID 87149561
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
CID 76970999
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 598912
N-[2-[methoxy(phenyl)phosphinothioyl]oxyethyl]-4-nitrobenzenesulfonamide
CID 11384490
N-ethoxy-1-[methoxy(phenyl)phosphinothioyl]oxybuta-1,2-dien-1-amine
CID 57032818
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
N-ethyl-N-[methoxy(phenyl)phosphinothioyl]ethanamine
CID 12584057
phenol;prop-2-enyl dihydrogen phosphate
CID 66654883
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594

Frequently Asked Questions

What is the IUPAC name of methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane (CID 54357760) is methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane is C=CCOP(=S)(OC)c1ccccc1.
What is the InChIKey of methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane?
The InChIKey is UKHZKDGOQGDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2PS/c1-3-9-12-13(14,11-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane?
methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane has a molecular weight of 228.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-phenyl-prop-2-enoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54357760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).