1-(4-iodophenyl)-2,3-dimethylbenzene

C14H13I — CID 20871963

IUPAC1-(4-iodophenyl)-2,3-dimethylbenzene
SMILESCc1cccc(-c2ccc(I)cc2)c1C
InChIInChI=1S/C14H13I/c1-10-4-3-5-14(11(10)2)12-6-8-13(15)9-7-12/h3-9H,1-2H3
InChIKeyHUEPCCCKMXMZDV-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.58
Rot. Bonds1

About 1-(4-iodophenyl)-2,3-dimethylbenzene

1-(4-iodophenyl)-2,3-dimethylbenzene (PubChem CID 20871963) has the molecular formula C14H13I and a molecular weight of 308.16 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(4-iodophenyl)-2,3-dimethylbenzene
PubChem CID20871963
Molecular FormulaC14H13I
Molecular Weight308.16 g/mol
Exact Mass308.01
IUPAC Name1-(4-iodophenyl)-2,3-dimethylbenzene
SMILESCc1cccc(-c2ccc(I)cc2)c1C
InChIInChI=1S/C14H13I/c1-10-4-3-5-14(11(10)2)12-6-8-13(15)9-7-12/h3-9H,1-2H3
InChIKeyHUEPCCCKMXMZDV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
CID 143079541
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(4-iodophenyl)-2,3-dimethylbenzene (CID 20871963) is 1-(4-iodophenyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(4-iodophenyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(4-iodophenyl)-2,3-dimethylbenzene is Cc1cccc(-c2ccc(I)cc2)c1C.
What is the InChIKey of 1-(4-iodophenyl)-2,3-dimethylbenzene?
The InChIKey is HUEPCCCKMXMZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13I/c1-10-4-3-5-14(11(10)2)12-6-8-13(15)9-7-12/h3-9H,1-2H3.
What are the key properties of 1-(4-iodophenyl)-2,3-dimethylbenzene?
1-(4-iodophenyl)-2,3-dimethylbenzene has a molecular weight of 308.16 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2,3-dimethylbenzene is sourced from PubChem (CID 20871963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).