1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene

C14H12ClIO2 — CID 16741994

IUPAC1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene
SMILESCOc1cc(-c2ccccc2Cl)c(OC)cc1I
InChIInChI=1S/C14H12ClIO2/c1-17-13-8-12(16)14(18-2)7-10(13)9-5-3-4-6-11(9)15/h3-8H,1-2H3
InChIKeyHRTRZYQLVXEMPF-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene

1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene (PubChem CID 16741994) has the molecular formula C14H12ClIO2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene
PubChem CID16741994
Molecular FormulaC14H12ClIO2
Molecular Weight374.61 g/mol
Exact Mass373.96
IUPAC Name1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene
SMILESCOc1cc(-c2ccccc2Cl)c(OC)cc1I
InChIInChI=1S/C14H12ClIO2/c1-17-13-8-12(16)14(18-2)7-10(13)9-5-3-4-6-11(9)15/h3-8H,1-2H3
InChIKeyHRTRZYQLVXEMPF-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.63
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

5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
CID 87697435
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
1-chloro-2-methoxybenzene
CID 13011
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
CID 175553236
4-iodo-2,5-dimethoxyphenol
CID 10850321

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene?
The IUPAC name of 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene (CID 16741994) is 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene.
What is the SMILES notation for 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene?
The canonical SMILES for 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene is COc1cc(-c2ccccc2Cl)c(OC)cc1I.
What is the InChIKey of 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene?
The InChIKey is HRTRZYQLVXEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIO2/c1-17-13-8-12(16)14(18-2)7-10(13)9-5-3-4-6-11(9)15/h3-8H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene?
1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene has a molecular weight of 374.61 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-iodo-2,5-dimethoxybenzene is sourced from PubChem (CID 16741994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).