2-(3-iodophenyl)-1,3-dimethoxybenzene

C14H13IO2 — CID 11302224

IUPAC2-(3-iodophenyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1-c1cccc(I)c1
InChIInChI=1S/C14H13IO2/c1-16-12-7-4-8-13(17-2)14(12)10-5-3-6-11(15)9-10/h3-9H,1-2H3
InChIKeyRRXRHJQEKQQXGZ-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.98
Rot. Bonds3

About 2-(3-iodophenyl)-1,3-dimethoxybenzene

2-(3-iodophenyl)-1,3-dimethoxybenzene (PubChem CID 11302224) has the molecular formula C14H13IO2 and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-(3-iodophenyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-iodophenyl)-1,3-dimethoxybenzene
PubChem CID11302224
Molecular FormulaC14H13IO2
Molecular Weight340.16 g/mol
Exact Mass340.00
IUPAC Name2-(3-iodophenyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1-c1cccc(I)c1
InChIInChI=1S/C14H13IO2/c1-16-12-7-4-8-13(17-2)14(12)10-5-3-6-11(15)9-10/h3-9H,1-2H3
InChIKeyRRXRHJQEKQQXGZ-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
3-(2,6-dimethoxyphenyl)benzenesulfonic acid
CID 87742445
3-(3-iodophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 43336010
2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine
CID 70696912
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
CID 70269151
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
CID 56702109
3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263311
2,3-bis(3-iodophenyl)phenol
CID 174395473

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(3-iodophenyl)-1,3-dimethoxybenzene (CID 11302224) is 2-(3-iodophenyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(3-iodophenyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(3-iodophenyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1-c1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-1,3-dimethoxybenzene?
The InChIKey is RRXRHJQEKQQXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO2/c1-16-12-7-4-8-13(17-2)14(12)10-5-3-6-11(15)9-10/h3-9H,1-2H3.
What are the key properties of 2-(3-iodophenyl)-1,3-dimethoxybenzene?
2-(3-iodophenyl)-1,3-dimethoxybenzene has a molecular weight of 340.16 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 11302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).