3-iodo-5-propan-2-yloxyphenol

C9H11IO2 — CID 67325346

IUPAC3-iodo-5-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)cc(I)c1
InChIInChI=1S/C9H11IO2/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,11H,1-2H3
InChIKeyXRRJRXUYGRHLRS-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.78
Rot. Bonds2

About 3-iodo-5-propan-2-yloxyphenol

3-iodo-5-propan-2-yloxyphenol (PubChem CID 67325346) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 3-iodo-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name3-iodo-5-propan-2-yloxyphenol
PubChem CID67325346
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name3-iodo-5-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)cc(I)c1
InChIInChI=1S/C9H11IO2/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,11H,1-2H3
InChIKeyXRRJRXUYGRHLRS-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methoxyethenyl)-5-propan-2-yloxyphenol
CID 67489284
1-fluoro-3-iodo-5-propan-2-yloxybenzene;(3-fluoro-5-propan-2-yloxyphenyl)boronic acid
CID 90329472
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
ethane;4-propan-2-yloxyphenol
CID 142348653
2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol
CID 59095231
2,5-di(propan-2-yloxy)phenol
CID 57426094
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-4-iodobenzamide
CID 137075500
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
CID 176998359
2,4,6-tri(propan-2-yloxy)benzenethiol
CID 159688108

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-propan-2-yloxyphenol?
The IUPAC name of 3-iodo-5-propan-2-yloxyphenol (CID 67325346) is 3-iodo-5-propan-2-yloxyphenol.
What is the SMILES notation for 3-iodo-5-propan-2-yloxyphenol?
The canonical SMILES for 3-iodo-5-propan-2-yloxyphenol is CC(C)Oc1cc(O)cc(I)c1.
What is the InChIKey of 3-iodo-5-propan-2-yloxyphenol?
The InChIKey is XRRJRXUYGRHLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6,11H,1-2H3.
What are the key properties of 3-iodo-5-propan-2-yloxyphenol?
3-iodo-5-propan-2-yloxyphenol has a molecular weight of 278.09 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-propan-2-yloxyphenol is sourced from PubChem (CID 67325346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).