4-(2-iodopropyl)-2-methoxyphenol

C10H13IO2 — CID 89111818

IUPAC4-(2-iodopropyl)-2-methoxyphenol
SMILESCOc1cc(CC(C)I)ccc1O
InChIInChI=1S/C10H13IO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5H2,1-2H3
InChIKeyGHAQQDOXFLTMQQ-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.77
Rot. Bonds3

About 4-(2-iodopropyl)-2-methoxyphenol

4-(2-iodopropyl)-2-methoxyphenol (PubChem CID 89111818) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-(2-iodopropyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-iodopropyl)-2-methoxyphenol
PubChem CID89111818
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name4-(2-iodopropyl)-2-methoxyphenol
SMILESCOc1cc(CC(C)I)ccc1O
InChIInChI=1S/C10H13IO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5H2,1-2H3
InChIKeyGHAQQDOXFLTMQQ-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.77
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-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
CID 155415603
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
5-[4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
CID 76535667

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodopropyl)-2-methoxyphenol?
The IUPAC name of 4-(2-iodopropyl)-2-methoxyphenol (CID 89111818) is 4-(2-iodopropyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-iodopropyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-iodopropyl)-2-methoxyphenol is COc1cc(CC(C)I)ccc1O.
What is the InChIKey of 4-(2-iodopropyl)-2-methoxyphenol?
The InChIKey is GHAQQDOXFLTMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 4-(2-iodopropyl)-2-methoxyphenol?
4-(2-iodopropyl)-2-methoxyphenol has a molecular weight of 292.12 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodopropyl)-2-methoxyphenol is sourced from PubChem (CID 89111818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).