dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane

C20H35O3PS — CID 57312290

IUPACdihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCC(C)(OP(O)(O)=S)c1ccccc1
InChIInChI=1S/C20H35O3PS/c1-3-4-5-6-7-8-9-10-11-15-18-20(2,23-24(21,22)25)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3,(H2,21,22,25)
InChIKeyCPQMWVJDEYKJCD-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.44
Rot. Bonds14

About dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane

dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane (PubChem CID 57312290) has the molecular formula C20H35O3PS and a molecular weight of 386.54 g/mol. Its IUPAC name is dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane
PubChem CID57312290
Molecular FormulaC20H35O3PS
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Namedihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCC(C)(OP(O)(O)=S)c1ccccc1
InChIInChI=1S/C20H35O3PS/c1-3-4-5-6-7-8-9-10-11-15-18-20(2,23-24(21,22)25)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3,(H2,21,22,25)
InChIKeyCPQMWVJDEYKJCD-UHFFFAOYSA-N
XLogP6.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.44
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

2-phenylheptan-2-yloxysilane
CID 173162133
[(2R)-2-hydroperoxyhexan-2-yl]benzene
CID 102075199
(8-hydroxy-2,14-diphenyl-14-phosphonooxypentadecan-2-yl) dihydrogen phosphate
CID 59660096
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-hexoxy-2-phenylpropan-1-ol
CID 10105542
tris(1,1-diphenyltridecyl) phosphate
CID 87921329
2-phenyldecan-2-amine
CID 63408050
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
5-phenylundecan-5-ol
CID 175525363
5-phenyltetradecan-5-ol
CID 175223116
tert-butylbenzene;hexane
CID 175254424
2-methyl-2-phenyldecanoic acid
CID 154177551

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane (CID 57312290) is dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCC(C)(OP(O)(O)=S)c1ccccc1.
What is the InChIKey of dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane?
The InChIKey is CPQMWVJDEYKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35O3PS/c1-3-4-5-6-7-8-9-10-11-15-18-20(2,23-24(21,22)25)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3,(H2,21,22,25).
What are the key properties of dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane?
dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane has a molecular weight of 386.54 g/mol, XLogP of 6.44, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 57312290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).