(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane

C15H24IOP — CID 174881075

IUPAC(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
SMILESCOc1c(C(C)(C)C)cc(PI)cc1C(C)(C)C
InChIInChI=1S/C15H24IOP/c1-14(2,3)11-8-10(18-16)9-12(13(11)17-7)15(4,5)6/h8-9,18H,1-7H3
InChIKeyHTFPSPNXBLNNNB-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.94
Rot. Bonds2

About (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane

(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane (PubChem CID 174881075) has the molecular formula C15H24IOP and a molecular weight of 378.23 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
PubChem CID174881075
Molecular FormulaC15H24IOP
Molecular Weight378.23 g/mol
Exact Mass378.06
IUPAC Name(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
SMILESCOc1c(C(C)(C)C)cc(PI)cc1C(C)(C)C
InChIInChI=1S/C15H24IOP/c1-14(2,3)11-8-10(18-16)9-12(13(11)17-7)15(4,5)6/h8-9,18H,1-7H3
InChIKeyHTFPSPNXBLNNNB-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 58741303
CID 58741303
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
CID 123380319
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
azanium 3,5-ditert-butyl-4-methoxybenzenesulfonate
CID 168869499
1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
CID 70140823
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
1-tert-butyl-3,5-difluoro-2-methoxybenzene
CID 59343854
2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117377712
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
3-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylpropyl-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
CID 18324360

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane?
The IUPAC name of (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane (CID 174881075) is (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane.
What is the SMILES notation for (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane?
The canonical SMILES for (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane is COc1c(C(C)(C)C)cc(PI)cc1C(C)(C)C.
What is the InChIKey of (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane?
The InChIKey is HTFPSPNXBLNNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IOP/c1-14(2,3)11-8-10(18-16)9-12(13(11)17-7)15(4,5)6/h8-9,18H,1-7H3.
What are the key properties of (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane?
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane has a molecular weight of 378.23 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane is sourced from PubChem (CID 174881075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).