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

C13H21O3PS — CID 174576787

IUPAChexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(O)(=S)Oc1ccc(C)cc1
InChIInChI=1S/C13H21O3PS/c1-3-4-5-6-11-15-17(14,18)16-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3,(H,14,18)
InChIKeyNEYPBWOUYBZNJK-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.19
Rot. Bonds8

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

hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 174576787) has the molecular formula C13H21O3PS and a molecular weight of 288.35 g/mol. Its IUPAC name is hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
PubChem CID174576787
Molecular FormulaC13H21O3PS
Molecular Weight288.35 g/mol
Exact Mass288.09
IUPAC Namehexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(O)(=S)Oc1ccc(C)cc1
InChIInChI=1S/C13H21O3PS/c1-3-4-5-6-11-15-17(14,18)16-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3,(H,14,18)
InChIKeyNEYPBWOUYBZNJK-UHFFFAOYSA-N
XLogP4.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.19
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

dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
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 hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane (CID 174576787) is hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane is CCCCCCOP(O)(=S)Oc1ccc(C)cc1.
What is the InChIKey of hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is NEYPBWOUYBZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3PS/c1-3-4-5-6-11-15-17(14,18)16-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3,(H,14,18).
What are the key properties of hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane?
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 288.35 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174576787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).