(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

C10H15O3PS — CID 23525793

IUPAC(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C10H15O3PS/c1-8-5-6-10(7-9(8)2)13-14(15,11-3)12-4/h5-7H,1-4H3
InChIKeyVFPIDMNBRBLUSR-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.20
Rot. Bonds4

About (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 23525793) has the molecular formula C10H15O3PS and a molecular weight of 246.27 g/mol. Its IUPAC name is (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID23525793
Molecular FormulaC10H15O3PS
Molecular Weight246.27 g/mol
Exact Mass246.05
IUPAC Name(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C10H15O3PS/c1-8-5-6-10(7-9(8)2)13-14(15,11-3)12-4/h5-7H,1-4H3
InChIKeyVFPIDMNBRBLUSR-UHFFFAOYSA-N
XLogP3.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide
CID 165340894
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
bis(4-chlorophenoxy)-methoxy-sulfanylidene-λ5-phosphane
CID 10337854
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
CID 59952153
CID 59952153
4-[chloro-(3,5-dimethylphenoxy)phosphoryl]oxy-1,2-dimethylbenzene
CID 102057999
1,2-dimethyl-4-propoxybenzene
CID 23549082
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
(3,4-dimethylphenoxy)-(2-methylphenyl)phosphinic acid
CID 87625044
4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
CID 91711632

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane (CID 23525793) is (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane is COP(=S)(OC)Oc1ccc(C)c(C)c1.
What is the InChIKey of (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is VFPIDMNBRBLUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3PS/c1-8-5-6-10(7-9(8)2)13-14(15,11-3)12-4/h5-7H,1-4H3.
What are the key properties of (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 246.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23525793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).