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

C14H13IO — CID 63530114

IUPAC1-iodo-2-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccccc2I)cc1
InChIInChI=1S/C14H13IO/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3
InChIKeyVPHPLABEYWHRMQ-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.18
Rot. Bonds3

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

1-iodo-2-[(4-methylphenyl)methoxy]benzene (PubChem CID 63530114) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-iodo-2-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-iodo-2-[(4-methylphenyl)methoxy]benzene
PubChem CID63530114
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name1-iodo-2-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccccc2I)cc1
InChIInChI=1S/C14H13IO/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3
InChIKeyVPHPLABEYWHRMQ-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.18
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-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-chloro-5-[(2-iodophenoxy)methyl]pyridine
CID 43428206
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 1-iodo-2-[(4-methylphenyl)methoxy]benzene (CID 63530114) is 1-iodo-2-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-iodo-2-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-iodo-2-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2ccccc2I)cc1.
What is the InChIKey of 1-iodo-2-[(4-methylphenyl)methoxy]benzene?
The InChIKey is VPHPLABEYWHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3.
What are the key properties of 1-iodo-2-[(4-methylphenyl)methoxy]benzene?
1-iodo-2-[(4-methylphenyl)methoxy]benzene has a molecular weight of 324.16 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 63530114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).