(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane

C23H25O3P — CID 142114981

IUPAC(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
SMILESCOc1cccc(OP(Oc2ccccc2C(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C23H25O3P/c1-23(2,3)21-15-8-9-16-22(21)26-27(20-13-6-5-7-14-20)25-19-12-10-11-18(17-19)24-4/h5-17H,1-4H3
InChIKeyOHCSVNSJHLZBON-UHFFFAOYSA-N
MW380.42 g/mol
LogP6.09
Rot. Bonds6

About (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane

(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane (PubChem CID 142114981) has the molecular formula C23H25O3P and a molecular weight of 380.42 g/mol. Its IUPAC name is (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane.

Molecular Properties

Compound Name(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
PubChem CID142114981
Molecular FormulaC23H25O3P
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
SMILESCOc1cccc(OP(Oc2ccccc2C(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C23H25O3P/c1-23(2,3)21-15-8-9-16-22(21)26-27(20-13-6-5-7-14-20)25-19-12-10-11-18(17-19)24-4/h5-17H,1-4H3
InChIKeyOHCSVNSJHLZBON-UHFFFAOYSA-N
XLogP6.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
bis(2,4-ditert-butyl-5-methylphenoxy)-phenylphosphane
CID 58892302
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
(3-tert-butyl-5-methoxyphenoxy)-diphenylphosphane
CID 141162614
(3-diphenoxyphosphanylphenoxy)-diphenylphosphane
CID 87862349
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
2-tert-butyl-6-[phenyl-(2,4,6-trimethoxyphenyl)phosphanyl]phenol
CID 58418968
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
methoxy-(2-methylphenoxy)-phenylphosphane
CID 174536732

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane?
The IUPAC name of (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane (CID 142114981) is (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane.
What is the SMILES notation for (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane?
The canonical SMILES for (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane is COc1cccc(OP(Oc2ccccc2C(C)(C)C)c2ccccc2)c1.
What is the InChIKey of (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane?
The InChIKey is OHCSVNSJHLZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O3P/c1-23(2,3)21-15-8-9-16-22(21)26-27(20-13-6-5-7-14-20)25-19-12-10-11-18(17-19)24-4/h5-17H,1-4H3.
What are the key properties of (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane?
(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane has a molecular weight of 380.42 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane is sourced from PubChem (CID 142114981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).