dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane

C9H13O3PS — CID 150954561

IUPACdihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)OCCCc1ccccc1
InChIInChI=1S/C9H13O3PS/c10-13(11,14)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,10,11,14)
InChIKeyLKUSCUQRPIRLDY-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.84
Rot. Bonds5

About dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane

dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane (PubChem CID 150954561) has the molecular formula C9H13O3PS and a molecular weight of 232.24 g/mol. Its IUPAC name is dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
PubChem CID150954561
Molecular FormulaC9H13O3PS
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Namedihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)OCCCc1ccccc1
InChIInChI=1S/C9H13O3PS/c10-13(11,14)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,10,11,14)
InChIKeyLKUSCUQRPIRLDY-UHFFFAOYSA-N
XLogP1.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-phenyldodecyl dihydrogen phosphate
CID 70388670
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
nonylbenzene;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173454942
nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87186209
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
3-phenylpropyl N-hydroxymethanimidate
CID 174745582
docosylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 175022672
dodecylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173455450
1-phenyl-N-(3-phenylpropoxy)methanamine
CID 154375568
butoxy(2-phenylethyl)phosphinic acid
CID 150976148
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane (CID 150954561) is dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane is OP(O)(=S)OCCCc1ccccc1.
What is the InChIKey of dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is LKUSCUQRPIRLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3PS/c10-13(11,14)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,10,11,14).
What are the key properties of dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane?
dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 232.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 150954561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).