(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane

C19H17O3PS — CID 89083431

IUPAC(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
SMILESCc1cccc(OP(=S)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H17O3PS/c1-16-9-8-14-19(15-16)22-23(24,20-17-10-4-2-5-11-17)21-18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyNHFNUGJGJKIZSR-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.76
Rot. Bonds6

About (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane

(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane (PubChem CID 89083431) has the molecular formula C19H17O3PS and a molecular weight of 356.38 g/mol. Its IUPAC name is (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
PubChem CID89083431
Molecular FormulaC19H17O3PS
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
SMILESCc1cccc(OP(=S)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H17O3PS/c1-16-9-8-14-19(15-16)22-23(24,20-17-10-4-2-5-11-17)21-18-12-6-3-7-13-18/h2-15H,1H3
InChIKeyNHFNUGJGJKIZSR-UHFFFAOYSA-N
XLogP5.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.76
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

sodium bis(3-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 88813408
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 21154482
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
isocyanic acid;triphenoxy(sulfanylidene)-λ5-phosphane
CID 172773715
azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
1,3-bis[[methyl(phenoxy)phosphoryl]oxy]benzene;ethane
CID 160703248
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555

Frequently Asked Questions

What is the IUPAC name of (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane (CID 89083431) is (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane is Cc1cccc(OP(=S)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane?
The InChIKey is NHFNUGJGJKIZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O3PS/c1-16-9-8-14-19(15-16)22-23(24,20-17-10-4-2-5-11-17)21-18-12-6-3-7-13-18/h2-15H,1H3.
What are the key properties of (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane?
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane has a molecular weight of 356.38 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 89083431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).