(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane

C23H25O2P — CID 141162614

IUPAC(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane
SMILESCOc1cc(OP(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C23H25O2P/c1-23(2,3)18-15-19(24-4)17-20(16-18)25-26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17H,1-4H3
InChIKeyVXNBLZJKJJYMBM-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.42
Rot. Bonds5

About (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane

(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane (PubChem CID 141162614) has the molecular formula C23H25O2P and a molecular weight of 364.43 g/mol. Its IUPAC name is (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane.

Molecular Properties

Compound Name(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane
PubChem CID141162614
Molecular FormulaC23H25O2P
Molecular Weight364.43 g/mol
Exact Mass364.16
IUPAC Name(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane
SMILESCOc1cc(OP(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C23H25O2P/c1-23(2,3)18-15-19(24-4)17-20(16-18)25-26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17H,1-4H3
InChIKeyVXNBLZJKJJYMBM-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.42
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

phenoxy(diphenyl)phosphane
CID 11543680
(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
CID 142114981
(3-methylphenyl)-phenoxy-phenylphosphane
CID 145412543
N-tert-butyl-1-(3-diphenylphosphanyloxyphenyl)methanimine
CID 122216192
diphenyl-(4-phenylphenoxy)phosphane
CID 21433738
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 78037549
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 71212347
(3-diphenoxyphosphanylphenoxy)-diphenylphosphane
CID 87862349
CID 71310744
CID 71310744
2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
CID 91071721
diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)oxy]phosphane
CID 89382009
1,3-dimethoxy-5-phenylbenzene
CID 11469945

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane?
The IUPAC name of (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane (CID 141162614) is (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane.
What is the SMILES notation for (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane?
The canonical SMILES for (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane is COc1cc(OP(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane?
The InChIKey is VXNBLZJKJJYMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2P/c1-23(2,3)18-15-19(24-4)17-20(16-18)25-26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17H,1-4H3.
What are the key properties of (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane?
(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane has a molecular weight of 364.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane is sourced from PubChem (CID 141162614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).