dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane

C19H33O3PS — CID 174560483

IUPACdodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCOP(O)(=S)Oc1ccc(C)cc1
InChIInChI=1S/C19H33O3PS/c1-3-4-5-6-7-8-9-10-11-12-17-21-23(20,24)22-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3,(H,20,24)
InChIKeyGLHFQZVGBSKSDQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.53
Rot. Bonds14

About dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane

dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 174560483) has the molecular formula C19H33O3PS and a molecular weight of 372.51 g/mol. Its IUPAC name is dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID174560483
Molecular FormulaC19H33O3PS
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Namedodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCOP(O)(=S)Oc1ccc(C)cc1
InChIInChI=1S/C19H33O3PS/c1-3-4-5-6-7-8-9-10-11-12-17-21-23(20,24)22-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3,(H,20,24)
InChIKeyGLHFQZVGBSKSDQ-UHFFFAOYSA-N
XLogP6.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787
didodecyl (4-methylphenyl) phosphate
CID 22637276
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174646420
hexyl phenyl hydrogen phosphate
CID 66863526
8-bis(4-methylphenoxy)phosphoryloxyoctyl bis(4-methylphenyl) phosphate
CID 118862448
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
sodium [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate
CID 54607997
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
(4-methylphenyl) 2-nonoxyethyl phenyl phosphate
CID 69156969
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
butyl heptyl hydrogen phosphate
CID 86151412

Frequently Asked Questions

What is the IUPAC name of dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane (CID 174560483) is dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCOP(O)(=S)Oc1ccc(C)cc1.
What is the InChIKey of dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is GLHFQZVGBSKSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O3PS/c1-3-4-5-6-7-8-9-10-11-12-17-21-23(20,24)22-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3,(H,20,24).
What are the key properties of dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 372.51 g/mol, XLogP of 6.53, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174560483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).