2-(3-iodophenyl)-1-methoxyethanol

C9H11IO2 — CID 163737603

IUPAC2-(3-iodophenyl)-1-methoxyethanol
SMILESCOC(O)Cc1cccc(I)c1
InChIInChI=1S/C9H11IO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,9,11H,6H2,1H3
InChIKeyLEYVXSZQDKARLX-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.80
Rot. Bonds3

About 2-(3-iodophenyl)-1-methoxyethanol

2-(3-iodophenyl)-1-methoxyethanol (PubChem CID 163737603) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-(3-iodophenyl)-1-methoxyethanol.

Molecular Properties

Compound Name2-(3-iodophenyl)-1-methoxyethanol
PubChem CID163737603
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name2-(3-iodophenyl)-1-methoxyethanol
SMILESCOC(O)Cc1cccc(I)c1
InChIInChI=1S/C9H11IO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,9,11H,6H2,1H3
InChIKeyLEYVXSZQDKARLX-UHFFFAOYSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3-(2-methylpropyl)benzene
CID 18417600
(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine
CID 90144903
(3-iodophenyl)methyl hypoiodite
CID 167240125
1-iodo-3-(2-nitropropyl)benzene
CID 135070744
2-(3-iodophenyl)ethanol
CID 15169850
1-[2-bromo-2-(3-iodophenyl)ethyl]-3-methoxybenzene
CID 55224846
1-(chloromethyl)-3-iodobenzene
CID 13059978
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
(2R)-3-[12-(3-iodophenyl)dodecoxy]-2-methoxypropan-1-ol
CID 10435096
(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide
CID 118117116
1-(3-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017729
2-(3-iodophenyl)-N-methylacetamide
CID 130614224

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-1-methoxyethanol?
The IUPAC name of 2-(3-iodophenyl)-1-methoxyethanol (CID 163737603) is 2-(3-iodophenyl)-1-methoxyethanol.
What is the SMILES notation for 2-(3-iodophenyl)-1-methoxyethanol?
The canonical SMILES for 2-(3-iodophenyl)-1-methoxyethanol is COC(O)Cc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-1-methoxyethanol?
The InChIKey is LEYVXSZQDKARLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-(3-iodophenyl)-1-methoxyethanol?
2-(3-iodophenyl)-1-methoxyethanol has a molecular weight of 278.09 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-1-methoxyethanol is sourced from PubChem (CID 163737603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).