5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol

C14H21IO2 — CID 126635060

IUPAC5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
SMILESCOc1cc(C(C)(C)I)c(O)cc1C(C)(C)C
InChIInChI=1S/C14H21IO2/c1-13(2,3)10-7-11(16)9(14(4,5)15)8-12(10)17-6/h7-8,16H,1-6H3
InChIKeyMFOFAASAXPFODE-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.37
Rot. Bonds2

About 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol

5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol (PubChem CID 126635060) has the molecular formula C14H21IO2 and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
PubChem CID126635060
Molecular FormulaC14H21IO2
Molecular Weight348.22 g/mol
Exact Mass348.06
IUPAC Name5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
SMILESCOc1cc(C(C)(C)I)c(O)cc1C(C)(C)C
InChIInChI=1S/C14H21IO2/c1-13(2,3)10-7-11(16)9(14(4,5)15)8-12(10)17-6/h7-8,16H,1-6H3
InChIKeyMFOFAASAXPFODE-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
5-tert-butyl-2-hydroxy-4-methoxybenzoic acid
CID 151019473
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
2-tert-butyl-4-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117347696
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol?
The IUPAC name of 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol (CID 126635060) is 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol.
What is the SMILES notation for 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol?
The canonical SMILES for 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol is COc1cc(C(C)(C)I)c(O)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol?
The InChIKey is MFOFAASAXPFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IO2/c1-13(2,3)10-7-11(16)9(14(4,5)15)8-12(10)17-6/h7-8,16H,1-6H3.
What are the key properties of 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol?
5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol has a molecular weight of 348.22 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol is sourced from PubChem (CID 126635060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).