4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene

C10H10BrIO — CID 147305100

IUPAC4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
SMILESBrc1ccc(I)c(OCC2CC2)c1
InChIInChI=1S/C10H10BrIO/c11-8-3-4-9(12)10(5-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCWVSUEGCHRAHKQ-UHFFFAOYSA-N
MW353.00 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene

4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene (PubChem CID 147305100) has the molecular formula C10H10BrIO and a molecular weight of 353.00 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
PubChem CID147305100
Molecular FormulaC10H10BrIO
Molecular Weight353.00 g/mol
Exact Mass351.90
IUPAC Name4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
SMILESBrc1ccc(I)c(OCC2CC2)c1
InChIInChI=1S/C10H10BrIO/c11-8-3-4-9(12)10(5-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCWVSUEGCHRAHKQ-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.00
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-bromo-2-iodophenoxy)methyl]oxane
CID 175686759
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
CID 165416562
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene
CID 175686753
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene?
The IUPAC name of 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene (CID 147305100) is 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene?
The canonical SMILES for 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene is Brc1ccc(I)c(OCC2CC2)c1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene?
The InChIKey is CWVSUEGCHRAHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIO/c11-8-3-4-9(12)10(5-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene?
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene has a molecular weight of 353.00 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene is sourced from PubChem (CID 147305100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).