3-iodo-1,2-dimethyl-4-phenoxybenzene

C14H13IO — CID 139655770

IUPAC3-iodo-1,2-dimethyl-4-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)c(I)c1C
InChIInChI=1S/C14H13IO/c1-10-8-9-13(14(15)11(10)2)16-12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyGHPDMGDOORJRIR-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.70
Rot. Bonds2

About 3-iodo-1,2-dimethyl-4-phenoxybenzene

3-iodo-1,2-dimethyl-4-phenoxybenzene (PubChem CID 139655770) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 3-iodo-1,2-dimethyl-4-phenoxybenzene.

Molecular Properties

Compound Name3-iodo-1,2-dimethyl-4-phenoxybenzene
PubChem CID139655770
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name3-iodo-1,2-dimethyl-4-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)c(I)c1C
InChIInChI=1S/C14H13IO/c1-10-8-9-13(14(15)11(10)2)16-12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyGHPDMGDOORJRIR-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.70
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

4,5-dimethyl-1-phenoxynaphthalene
CID 54090938
ethane;1-methyl-2-phenoxybenzene
CID 90950955
1,3-dimethoxy-2-methyl-4-phenoxybenzene
CID 22071605
1,2,4-trimethyl-3,5-diphenoxybenzene
CID 141017491
N,3-dimethyl-4-phenoxyaniline
CID 143188330
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
CID 139562283
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,2-dimethyl-4-phenoxybenzene?
The IUPAC name of 3-iodo-1,2-dimethyl-4-phenoxybenzene (CID 139655770) is 3-iodo-1,2-dimethyl-4-phenoxybenzene.
What is the SMILES notation for 3-iodo-1,2-dimethyl-4-phenoxybenzene?
The canonical SMILES for 3-iodo-1,2-dimethyl-4-phenoxybenzene is Cc1ccc(Oc2ccccc2)c(I)c1C.
What is the InChIKey of 3-iodo-1,2-dimethyl-4-phenoxybenzene?
The InChIKey is GHPDMGDOORJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-10-8-9-13(14(15)11(10)2)16-12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 3-iodo-1,2-dimethyl-4-phenoxybenzene?
3-iodo-1,2-dimethyl-4-phenoxybenzene has a molecular weight of 324.16 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,2-dimethyl-4-phenoxybenzene is sourced from PubChem (CID 139655770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).