4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene

C15H14ClIO2 — CID 61082755

IUPAC4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Cl)c2ccccc2I)cc1OC
InChIInChI=1S/C15H14ClIO2/c1-18-13-8-7-10(9-14(13)19-2)15(16)11-5-3-4-6-12(11)17/h3-9,15H,1-2H3
InChIKeyCYJSBVRNHYDHAC-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.64
Rot. Bonds4

About 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene

4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene (PubChem CID 61082755) has the molecular formula C15H14ClIO2 and a molecular weight of 388.63 g/mol. Its IUPAC name is 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene
PubChem CID61082755
Molecular FormulaC15H14ClIO2
Molecular Weight388.63 g/mol
Exact Mass387.97
IUPAC Name4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Cl)c2ccccc2I)cc1OC
InChIInChI=1S/C15H14ClIO2/c1-18-13-8-7-10(9-14(13)19-2)15(16)11-5-3-4-6-12(11)17/h3-9,15H,1-2H3
InChIKeyCYJSBVRNHYDHAC-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene
CID 63436197
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
1-bromo-5-[chloro-(2-iodophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432597
1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene
CID 6932906
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1,3-difluorobenzene
CID 61081731
2-bromo-4-[chloro-(3,4-dimethoxyphenyl)methyl]-1-methylbenzene
CID 81476083
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
4-[chloro-(4-ethoxyphenyl)methyl]-1,2-dimethoxybenzene
CID 61082919
1-[chloro-(3-chloro-4-iodophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 103210753

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene (CID 61082755) is 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene is COc1ccc(C(Cl)c2ccccc2I)cc1OC.
What is the InChIKey of 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene?
The InChIKey is CYJSBVRNHYDHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO2/c1-18-13-8-7-10(9-14(13)19-2)15(16)11-5-3-4-6-12(11)17/h3-9,15H,1-2H3.
What are the key properties of 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene?
4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene has a molecular weight of 388.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 61082755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).