1-(iodomethoxymethyl)-4-methylbenzene

C9H11IO — CID 146521641

IUPAC1-(iodomethoxymethyl)-4-methylbenzene
SMILESCc1ccc(COCI)cc1
InChIInChI=1S/C9H11IO/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6-7H2,1H3
InChIKeyQBZBXGIFBYCOOH-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.90
Rot. Bonds3

About 1-(iodomethoxymethyl)-4-methylbenzene

1-(iodomethoxymethyl)-4-methylbenzene (PubChem CID 146521641) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is 1-(iodomethoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(iodomethoxymethyl)-4-methylbenzene
PubChem CID146521641
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name1-(iodomethoxymethyl)-4-methylbenzene
SMILESCc1ccc(COCI)cc1
InChIInChI=1S/C9H11IO/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6-7H2,1H3
InChIKeyQBZBXGIFBYCOOH-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.90
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

1-(ethoxymethyl)-4-methylbenzene
CID 12727419
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
(4-methylphenyl)methyl hypochlorite
CID 174764062
1-methyl-4-(2-methylprop-2-enoxymethyl)benzene
CID 10702431
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
CID 143482271
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-(but-3-ynoxymethyl)-4-methylbenzene
CID 15544024
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethoxymethyl)-4-methylbenzene?
The IUPAC name of 1-(iodomethoxymethyl)-4-methylbenzene (CID 146521641) is 1-(iodomethoxymethyl)-4-methylbenzene.
What is the SMILES notation for 1-(iodomethoxymethyl)-4-methylbenzene?
The canonical SMILES for 1-(iodomethoxymethyl)-4-methylbenzene is Cc1ccc(COCI)cc1.
What is the InChIKey of 1-(iodomethoxymethyl)-4-methylbenzene?
The InChIKey is QBZBXGIFBYCOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(iodomethoxymethyl)-4-methylbenzene?
1-(iodomethoxymethyl)-4-methylbenzene has a molecular weight of 262.09 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethoxymethyl)-4-methylbenzene is sourced from PubChem (CID 146521641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).