1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene

C15H15IO — CID 60644543

IUPAC1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(COc2ccc(I)cc2)c1
InChIInChI=1S/C15H15IO/c1-11-7-12(2)9-13(8-11)10-17-15-5-3-14(16)4-6-15/h3-9H,10H2,1-2H3
InChIKeyQDFZFBQLUIQHPW-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.49
Rot. Bonds3

About 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene

1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene (PubChem CID 60644543) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
PubChem CID60644543
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(COc2ccc(I)cc2)c1
InChIInChI=1S/C15H15IO/c1-11-7-12(2)9-13(8-11)10-17-15-5-3-14(16)4-6-15/h3-9H,10H2,1-2H3
InChIKeyQDFZFBQLUIQHPW-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-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 54911327
[4-[(4-iodophenyl)methoxy]phenyl]-bis(4-methylphenyl)sulfanium
CID 165155230
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
1,3,5-triethyl-2,4,6-tris[(4-iodophenoxy)methyl]benzene;1,3-xylene
CID 139145034
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene (CID 60644543) is 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene is Cc1cc(C)cc(COc2ccc(I)cc2)c1.
What is the InChIKey of 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene?
The InChIKey is QDFZFBQLUIQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c1-11-7-12(2)9-13(8-11)10-17-15-5-3-14(16)4-6-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene?
1-[(4-iodophenoxy)methyl]-3,5-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 1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 60644543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).