1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene

C14H11F2IO — CID 114276771

IUPAC1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene
SMILESCc1cc(F)c(F)cc1OCc1ccc(I)cc1
InChIInChI=1S/C14H11F2IO/c1-9-6-12(15)13(16)7-14(9)18-8-10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyAKRWNBKIAMYNDL-UHFFFAOYSA-N
MW360.14 g/mol
LogP4.46
Rot. Bonds3

About 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene

1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene (PubChem CID 114276771) has the molecular formula C14H11F2IO and a molecular weight of 360.14 g/mol. Its IUPAC name is 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene
PubChem CID114276771
Molecular FormulaC14H11F2IO
Molecular Weight360.14 g/mol
Exact Mass359.98
IUPAC Name1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene
SMILESCc1cc(F)c(F)cc1OCc1ccc(I)cc1
InChIInChI=1S/C14H11F2IO/c1-9-6-12(15)13(16)7-14(9)18-8-10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyAKRWNBKIAMYNDL-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 54.46
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

3-[(4-iodophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656586
1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
CID 81269320
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride
CID 43134393
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene?
The IUPAC name of 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene (CID 114276771) is 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene.
What is the SMILES notation for 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene?
The canonical SMILES for 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene is Cc1cc(F)c(F)cc1OCc1ccc(I)cc1.
What is the InChIKey of 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene?
The InChIKey is AKRWNBKIAMYNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2IO/c1-9-6-12(15)13(16)7-14(9)18-8-10-2-4-11(17)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene?
1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene has a molecular weight of 360.14 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene is sourced from PubChem (CID 114276771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).