(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane

C18H23O2P — CID 21130906

IUPAC(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane
SMILESCCOPOc1ccc(-c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C18H23O2P/c1-5-19-21-20-17-12-11-15(13-16(17)18(2,3)4)14-9-7-6-8-10-14/h6-13,21H,5H2,1-4H3
InChIKeyDNNFAZMEIPLJDV-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.57
Rot. Bonds5

About (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane

(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane (PubChem CID 21130906) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane.

Molecular Properties

Compound Name(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane
PubChem CID21130906
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane
SMILESCCOPOc1ccc(-c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C18H23O2P/c1-5-19-21-20-17-12-11-15(13-16(17)18(2,3)4)14-9-7-6-8-10-14/h6-13,21H,5H2,1-4H3
InChIKeyDNNFAZMEIPLJDV-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.57
H-Bond Donors ≤ 50
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

(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
CID 59422614
1-bromo-2-tert-butyl-4-phenylbenzene
CID 166064936
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
bis[2,4-bis(2-tert-butylphenyl)-3-phenylphenoxy]phosphane
CID 67204106
(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 134479186
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
CID 20677953
1,3-ditert-butyl-2-(5-phenyl-2-phosphorosooxyphenyl)benzene
CID 151365870
10-tert-butyl-3-phenylphenanthrene
CID 164811784
6-[3-tert-butyl-4-(methylphosphanylmethoxy)phenyl]naphthalene-2-carboxylic acid
CID 142060293
2-tert-butyl-1-(4-phenylphenyl)anthracene
CID 154099301

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane?
The IUPAC name of (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane (CID 21130906) is (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane.
What is the SMILES notation for (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane?
The canonical SMILES for (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane is CCOPOc1ccc(-c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane?
The InChIKey is DNNFAZMEIPLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-5-19-21-20-17-12-11-15(13-16(17)18(2,3)4)14-9-7-6-8-10-14/h6-13,21H,5H2,1-4H3.
What are the key properties of (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane?
(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane has a molecular weight of 302.35 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane is sourced from PubChem (CID 21130906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).