1-(cyclopropylmethoxy)-2-iodobenzene

C10H11IO — CID 61400120

IUPAC1-(cyclopropylmethoxy)-2-iodobenzene
SMILESIc1ccccc1OCC1CC1
InChIInChI=1S/C10H11IO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyPKOTXNFQQFKCIJ-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.08
Rot. Bonds3

About 1-(cyclopropylmethoxy)-2-iodobenzene

1-(cyclopropylmethoxy)-2-iodobenzene (PubChem CID 61400120) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-iodobenzene
PubChem CID61400120
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-(cyclopropylmethoxy)-2-iodobenzene
SMILESIc1ccccc1OCC1CC1
InChIInChI=1S/C10H11IO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyPKOTXNFQQFKCIJ-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.08
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-[(2-iodophenoxy)methyl]piperidine;hydrochloride
CID 53409948
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
methyl 2-[4-[(2-iodophenoxy)methyl]piperidin-1-yl]acetate
CID 165429396
CID 67186434
CID 67186434
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100
1-(2-cyclohexylethoxy)-2-iodobenzene
CID 155907429
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
4-(cycloheptylmethoxy)-3-iodoaniline
CID 114248007

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-iodobenzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2-iodobenzene (CID 61400120) is 1-(cyclopropylmethoxy)-2-iodobenzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-iodobenzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-iodobenzene is Ic1ccccc1OCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-iodobenzene?
The InChIKey is PKOTXNFQQFKCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 1-(cyclopropylmethoxy)-2-iodobenzene?
1-(cyclopropylmethoxy)-2-iodobenzene has a molecular weight of 274.10 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-iodobenzene is sourced from PubChem (CID 61400120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).