hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane

C8H11O2PS — CID 21154482

IUPAChydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCc1cccc(OP(C)(O)=S)c1
InChIInChI=1S/C8H11O2PS/c1-7-4-3-5-8(6-7)10-11(2,9)12/h3-6H,1-2H3,(H,9,12)
InChIKeyXYUPBHJDHWXIJW-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.31
Rot. Bonds2

About hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane

hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 21154482) has the molecular formula C8H11O2PS and a molecular weight of 202.22 g/mol. Its IUPAC name is hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID21154482
Molecular FormulaC8H11O2PS
Molecular Weight202.22 g/mol
Exact Mass202.02
IUPAC Namehydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCc1cccc(OP(C)(O)=S)c1
InChIInChI=1S/C8H11O2PS/c1-7-4-3-5-8(6-7)10-11(2,9)12/h3-6H,1-2H3,(H,9,12)
InChIKeyXYUPBHJDHWXIJW-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
sodium bis(3-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 88813408
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
ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane
CID 91278788
2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol
CID 101490329
ethoxy (3-methylphenyl) hydrogen phosphate
CID 172816052
(3-methylphenyl) 3,3-dimethyl-2-methylidenebutanoate
CID 139998257
1-bis(3-methylphenoxy)phosphorylpropan-2-one
CID 176899412
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane (CID 21154482) is hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane is Cc1cccc(OP(C)(O)=S)c1.
What is the InChIKey of hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is XYUPBHJDHWXIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2PS/c1-7-4-3-5-8(6-7)10-11(2,9)12/h3-6H,1-2H3,(H,9,12).
What are the key properties of hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane?
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 202.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21154482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).