1-chloro-2-(1-iodoethoxy)-4-methylbenzene

C9H10ClIO — CID 130224829

IUPAC1-chloro-2-(1-iodoethoxy)-4-methylbenzene
SMILESCc1ccc(Cl)c(OC(C)I)c1
InChIInChI=1S/C9H10ClIO/c1-6-3-4-8(10)9(5-6)12-7(2)11/h3-5,7H,1-2H3
InChIKeyQDYPLQIQBVKIFW-UHFFFAOYSA-N
MW296.54 g/mol
LogP3.81
Rot. Bonds2

About 1-chloro-2-(1-iodoethoxy)-4-methylbenzene

1-chloro-2-(1-iodoethoxy)-4-methylbenzene (PubChem CID 130224829) has the molecular formula C9H10ClIO and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-chloro-2-(1-iodoethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(1-iodoethoxy)-4-methylbenzene
PubChem CID130224829
Molecular FormulaC9H10ClIO
Molecular Weight296.54 g/mol
Exact Mass295.95
IUPAC Name1-chloro-2-(1-iodoethoxy)-4-methylbenzene
SMILESCc1ccc(Cl)c(OC(C)I)c1
InChIInChI=1S/C9H10ClIO/c1-6-3-4-8(10)9(5-6)12-7(2)11/h3-5,7H,1-2H3
InChIKeyQDYPLQIQBVKIFW-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
CID 61262210
(2-chloro-5-methylphenyl) hydrogen sulfite
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CID 46779580
1-iodo-4-methyl-2-propan-2-yloxybenzene
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2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
2-(2-chloro-5-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112519863
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-iodoethoxy)-4-methylbenzene?
The IUPAC name of 1-chloro-2-(1-iodoethoxy)-4-methylbenzene (CID 130224829) is 1-chloro-2-(1-iodoethoxy)-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-(1-iodoethoxy)-4-methylbenzene?
The canonical SMILES for 1-chloro-2-(1-iodoethoxy)-4-methylbenzene is Cc1ccc(Cl)c(OC(C)I)c1.
What is the InChIKey of 1-chloro-2-(1-iodoethoxy)-4-methylbenzene?
The InChIKey is QDYPLQIQBVKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIO/c1-6-3-4-8(10)9(5-6)12-7(2)11/h3-5,7H,1-2H3.
What are the key properties of 1-chloro-2-(1-iodoethoxy)-4-methylbenzene?
1-chloro-2-(1-iodoethoxy)-4-methylbenzene has a molecular weight of 296.54 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-iodoethoxy)-4-methylbenzene is sourced from PubChem (CID 130224829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).