1-iodo-2-methoxy-4-propan-2-yloxybenzene

C10H13IO2 — CID 131308611

IUPAC1-iodo-2-methoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC(C)C)ccc1I
InChIInChI=1S/C10H13IO2/c1-7(2)13-8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3
InChIKeyBAQGYKLKIXLHPQ-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.09
Rot. Bonds3

About 1-iodo-2-methoxy-4-propan-2-yloxybenzene

1-iodo-2-methoxy-4-propan-2-yloxybenzene (PubChem CID 131308611) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-iodo-2-methoxy-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-iodo-2-methoxy-4-propan-2-yloxybenzene
PubChem CID131308611
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name1-iodo-2-methoxy-4-propan-2-yloxybenzene
SMILESCOc1cc(OC(C)C)ccc1I
InChIInChI=1S/C10H13IO2/c1-7(2)13-8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3
InChIKeyBAQGYKLKIXLHPQ-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 88575410
CID 88575410
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene
CID 159264370
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
1-fluoro-2-iodo-4-propan-2-yloxybenzene
CID 131606959
1-(4-iodo-3-methoxyphenoxy)propan-2-one
CID 59267144
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
1,4-diiodo-2-methoxybenzene
CID 23154690
1-iodo-4-methyl-2-propan-2-yloxybenzene
CID 164893598
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
CID 130673474

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methoxy-4-propan-2-yloxybenzene?
The IUPAC name of 1-iodo-2-methoxy-4-propan-2-yloxybenzene (CID 131308611) is 1-iodo-2-methoxy-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-iodo-2-methoxy-4-propan-2-yloxybenzene?
The canonical SMILES for 1-iodo-2-methoxy-4-propan-2-yloxybenzene is COc1cc(OC(C)C)ccc1I.
What is the InChIKey of 1-iodo-2-methoxy-4-propan-2-yloxybenzene?
The InChIKey is BAQGYKLKIXLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-7(2)13-8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3.
What are the key properties of 1-iodo-2-methoxy-4-propan-2-yloxybenzene?
1-iodo-2-methoxy-4-propan-2-yloxybenzene has a molecular weight of 292.12 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methoxy-4-propan-2-yloxybenzene is sourced from PubChem (CID 131308611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).