di(cyclobutyloxy)-(2-phenylethyl)phosphane

C16H23O2P — CID 141159211

IUPACdi(cyclobutyloxy)-(2-phenylethyl)phosphane
SMILESc1ccc(CCP(OC2CCC2)OC2CCC2)cc1
InChIInChI=1S/C16H23O2P/c1-2-6-14(7-3-1)12-13-19(17-15-8-4-9-15)18-16-10-5-11-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyJZGFHIZJSIIUEL-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.68
Rot. Bonds7

About di(cyclobutyloxy)-(2-phenylethyl)phosphane

di(cyclobutyloxy)-(2-phenylethyl)phosphane (PubChem CID 141159211) has the molecular formula C16H23O2P and a molecular weight of 278.33 g/mol. Its IUPAC name is di(cyclobutyloxy)-(2-phenylethyl)phosphane.

Molecular Properties

Compound Namedi(cyclobutyloxy)-(2-phenylethyl)phosphane
PubChem CID141159211
Molecular FormulaC16H23O2P
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Namedi(cyclobutyloxy)-(2-phenylethyl)phosphane
SMILESc1ccc(CCP(OC2CCC2)OC2CCC2)cc1
InChIInChI=1S/C16H23O2P/c1-2-6-14(7-3-1)12-13-19(17-15-8-4-9-15)18-16-10-5-11-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyJZGFHIZJSIIUEL-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dicyclopropyloxy(3-phenylpropyl)phosphane
CID 141159273
2-cyclobutyloxyethylbenzene
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3-cyclobutyloxybutylbenzene
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(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
CID 20511064
CID 11402379
CID 11402379
azane;cyclopentyloxymethylbenzene
CID 69411306
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
cis-methyl (1R,3S)-3-(2-phenylethoxy)cyclohexane-1-carboxylate
CID 129389048
N,N-dibenzylcyclobutanamine
CID 70822586
benzene;2-phenylethylbenzene
CID 18982764
(3R)-3-(2-phenylethyl)cycloheptene
CID 102587437
2-(3-chlorocyclohexen-1-yl)ethylbenzene
CID 65177340

Frequently Asked Questions

What is the IUPAC name of di(cyclobutyloxy)-(2-phenylethyl)phosphane?
The IUPAC name of di(cyclobutyloxy)-(2-phenylethyl)phosphane (CID 141159211) is di(cyclobutyloxy)-(2-phenylethyl)phosphane.
What is the SMILES notation for di(cyclobutyloxy)-(2-phenylethyl)phosphane?
The canonical SMILES for di(cyclobutyloxy)-(2-phenylethyl)phosphane is c1ccc(CCP(OC2CCC2)OC2CCC2)cc1.
What is the InChIKey of di(cyclobutyloxy)-(2-phenylethyl)phosphane?
The InChIKey is JZGFHIZJSIIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O2P/c1-2-6-14(7-3-1)12-13-19(17-15-8-4-9-15)18-16-10-5-11-16/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of di(cyclobutyloxy)-(2-phenylethyl)phosphane?
di(cyclobutyloxy)-(2-phenylethyl)phosphane has a molecular weight of 278.33 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyloxy)-(2-phenylethyl)phosphane is sourced from PubChem (CID 141159211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).