2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene

C15H15IO — CID 65489726

IUPAC2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1OCc1ccc(I)cc1
InChIInChI=1S/C15H15IO/c1-11-4-3-5-12(2)15(11)17-10-13-6-8-14(16)9-7-13/h3-9H,10H2,1-2H3
InChIKeyWAXYTGZGCKBSGT-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.49
Rot. Bonds3

About 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene

2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 65489726) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID65489726
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1OCc1ccc(I)cc1
InChIInChI=1S/C15H15IO/c1-11-4-3-5-12(2)15(11)17-10-13-6-8-14(16)9-7-13/h3-9H,10H2,1-2H3
InChIKeyWAXYTGZGCKBSGT-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.49
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

1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
CID 81269320
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 65478013
3-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-1,2-oxazole
CID 90202651
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
5-[(2,6-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62195101
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
phenyl 4-[(2,6-dimethylphenoxy)methyl]benzoate
CID 925914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene (CID 65489726) is 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene is Cc1cccc(C)c1OCc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is WAXYTGZGCKBSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c1-11-4-3-5-12(2)15(11)17-10-13-6-8-14(16)9-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene?
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene has a molecular weight of 338.19 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 65489726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).