4-(1-iodobutyl)-2-methoxy-6-methylphenol

C12H17IO2 — CID 142876837

IUPAC4-(1-iodobutyl)-2-methoxy-6-methylphenol
SMILESCCCC(I)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C12H17IO2/c1-4-5-10(13)9-6-8(2)12(14)11(7-9)15-3/h6-7,10,14H,4-5H2,1-3H3
InChIKeyMUTRAQLYOGBKIQ-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.99
Rot. Bonds4

About 4-(1-iodobutyl)-2-methoxy-6-methylphenol

4-(1-iodobutyl)-2-methoxy-6-methylphenol (PubChem CID 142876837) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 4-(1-iodobutyl)-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-(1-iodobutyl)-2-methoxy-6-methylphenol
PubChem CID142876837
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name4-(1-iodobutyl)-2-methoxy-6-methylphenol
SMILESCCCC(I)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C12H17IO2/c1-4-5-10(13)9-6-8(2)12(14)11(7-9)15-3/h6-7,10,14H,4-5H2,1-3H3
InChIKeyMUTRAQLYOGBKIQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.99
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

4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
CID 83950515
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
CID 15570439
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
ethyl 2-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate
CID 88734278

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodobutyl)-2-methoxy-6-methylphenol?
The IUPAC name of 4-(1-iodobutyl)-2-methoxy-6-methylphenol (CID 142876837) is 4-(1-iodobutyl)-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-(1-iodobutyl)-2-methoxy-6-methylphenol?
The canonical SMILES for 4-(1-iodobutyl)-2-methoxy-6-methylphenol is CCCC(I)c1cc(C)c(O)c(OC)c1.
What is the InChIKey of 4-(1-iodobutyl)-2-methoxy-6-methylphenol?
The InChIKey is MUTRAQLYOGBKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-4-5-10(13)9-6-8(2)12(14)11(7-9)15-3/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of 4-(1-iodobutyl)-2-methoxy-6-methylphenol?
4-(1-iodobutyl)-2-methoxy-6-methylphenol has a molecular weight of 320.17 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodobutyl)-2-methoxy-6-methylphenol is sourced from PubChem (CID 142876837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).