benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane

C18H23O2PS — CID 71388341

IUPACbenzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCCCOP(C)(=S)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2PS/c1-3-4-15-19-21(2,22)20-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyMODPBWWIBDTUID-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.55
Rot. Bonds8

About benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane

benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 71388341) has the molecular formula C18H23O2PS and a molecular weight of 334.42 g/mol. Its IUPAC name is benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebenzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID71388341
Molecular FormulaC18H23O2PS
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Namebenzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCCCOP(C)(=S)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O2PS/c1-3-4-15-19-21(2,22)20-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyMODPBWWIBDTUID-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
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

dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
CID 23412949
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
N-[(R)-dibutoxyphosphoryl(phenyl)methyl]aniline
CID 7370793
benzhydryloxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 12868443
CID 66774480
CID 66774480
bis[4-[butoxy(phenyl)methyl]phenyl] hydrogen phosphate
CID 21401943
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
3-[butoxy(ethyl)phosphoryl]-3-phenylpropanal
CID 86657312
sodium bis[4-[butoxy(phenyl)methyl]phenyl] phosphate
CID 23696466
4-butoxy-2-phenylbutan-1-amine
CID 65429103
4,4-diphenylbutoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 54339531

Frequently Asked Questions

What is the IUPAC name of benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane (CID 71388341) is benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane is CCCCOP(C)(=S)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is MODPBWWIBDTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2PS/c1-3-4-15-19-21(2,22)20-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3.
What are the key properties of benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane?
benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 334.42 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryloxy-butoxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 71388341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).