1-iodo-4-[(2-methylphenyl)methyl]benzene

C14H13I — CID 67085401

IUPAC1-iodo-4-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccc(I)cc1
InChIInChI=1S/C14H13I/c1-11-4-2-3-5-13(11)10-12-6-8-14(15)9-7-12/h2-9H,10H2,1H3
InChIKeyPGQQQYOCJMGIJN-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.19
Rot. Bonds2

About 1-iodo-4-[(2-methylphenyl)methyl]benzene

1-iodo-4-[(2-methylphenyl)methyl]benzene (PubChem CID 67085401) has the molecular formula C14H13I and a molecular weight of 308.16 g/mol. Its IUPAC name is 1-iodo-4-[(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(2-methylphenyl)methyl]benzene
PubChem CID67085401
Molecular FormulaC14H13I
Molecular Weight308.16 g/mol
Exact Mass308.01
IUPAC Name1-iodo-4-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccc(I)cc1
InChIInChI=1S/C14H13I/c1-11-4-2-3-5-13(11)10-12-6-8-14(15)9-7-12/h2-9H,10H2,1H3
InChIKeyPGQQQYOCJMGIJN-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methylbenzene
CID 66041139
methoxy-[4-[(2-methylphenyl)methyl]phenyl]-oxophosphanium
CID 151461990
[4-[(4-iodophenyl)methyl]phenyl]-bis(2-methylphenyl)sulfanium
CID 172758929
2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
CID 43160312
4-[(2-methylphenyl)methyl]benzenesulfonamide
CID 139623698
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(2-methylphenyl)methyl]benzene?
The IUPAC name of 1-iodo-4-[(2-methylphenyl)methyl]benzene (CID 67085401) is 1-iodo-4-[(2-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-iodo-4-[(2-methylphenyl)methyl]benzene?
The canonical SMILES for 1-iodo-4-[(2-methylphenyl)methyl]benzene is Cc1ccccc1Cc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-[(2-methylphenyl)methyl]benzene?
The InChIKey is PGQQQYOCJMGIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13I/c1-11-4-2-3-5-13(11)10-12-6-8-14(15)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-iodo-4-[(2-methylphenyl)methyl]benzene?
1-iodo-4-[(2-methylphenyl)methyl]benzene has a molecular weight of 308.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 67085401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).