(2-tert-butylphenoxy)-di(propan-2-yl)phosphane

C16H27OP — CID 11346160

IUPAC(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
SMILESCC(C)P(Oc1ccccc1C(C)(C)C)C(C)C
InChIInChI=1S/C16H27OP/c1-12(2)18(13(3)4)17-15-11-9-8-10-14(15)16(5,6)7/h8-13H,1-7H3
InChIKeyGVZUSYSQPYEUPU-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.58
Rot. Bonds4

About (2-tert-butylphenoxy)-di(propan-2-yl)phosphane

(2-tert-butylphenoxy)-di(propan-2-yl)phosphane (PubChem CID 11346160) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is (2-tert-butylphenoxy)-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
PubChem CID11346160
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
SMILESCC(C)P(Oc1ccccc1C(C)(C)C)C(C)C
InChIInChI=1S/C16H27OP/c1-12(2)18(13(3)4)17-15-11-9-8-10-14(15)16(5,6)7/h8-13H,1-7H3
InChIKeyGVZUSYSQPYEUPU-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
CID 58931579
[2-di(propan-2-yl)phosphanyloxyphenyl]sulfanyl-di(propan-2-yl)phosphane
CID 132508426
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033
bis(2-tert-butylphenoxy)-ethyl-hydroxyphosphanium
CID 172864581
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenoxy)-di(propan-2-yl)phosphane?
The IUPAC name of (2-tert-butylphenoxy)-di(propan-2-yl)phosphane (CID 11346160) is (2-tert-butylphenoxy)-di(propan-2-yl)phosphane.
What is the SMILES notation for (2-tert-butylphenoxy)-di(propan-2-yl)phosphane?
The canonical SMILES for (2-tert-butylphenoxy)-di(propan-2-yl)phosphane is CC(C)P(Oc1ccccc1C(C)(C)C)C(C)C.
What is the InChIKey of (2-tert-butylphenoxy)-di(propan-2-yl)phosphane?
The InChIKey is GVZUSYSQPYEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-12(2)18(13(3)4)17-15-11-9-8-10-14(15)16(5,6)7/h8-13H,1-7H3.
What are the key properties of (2-tert-butylphenoxy)-di(propan-2-yl)phosphane?
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane has a molecular weight of 266.36 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenoxy)-di(propan-2-yl)phosphane is sourced from PubChem (CID 11346160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).