1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene

C9H9ClFIO2 — CID 139324179

IUPAC1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene
SMILESCOc1c(C)c(OC)c(Cl)c(I)c1F
InChIInChI=1S/C9H9ClFIO2/c1-4-8(13-2)5(10)7(12)6(11)9(4)14-3/h1-3H3
InChIKeyFWMQDWOAWSOSOY-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.41
Rot. Bonds2

About 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene

1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene (PubChem CID 139324179) has the molecular formula C9H9ClFIO2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene
PubChem CID139324179
Molecular FormulaC9H9ClFIO2
Molecular Weight330.52 g/mol
Exact Mass329.93
IUPAC Name1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene
SMILESCOc1c(C)c(OC)c(Cl)c(I)c1F
InChIInChI=1S/C9H9ClFIO2/c1-4-8(13-2)5(10)7(12)6(11)9(4)14-3/h1-3H3
InChIKeyFWMQDWOAWSOSOY-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
CID 86035414
1,2-dichloro-3,4,6-trifluoro-5-methoxybenzene
CID 71389282
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
CID 175220601
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
1,3,5-triiodo-2,4,6-trimethoxybenzene
CID 15832239
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
1,2,3,4,5-pentachloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 129318206
1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene
CID 20758552
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene?
The IUPAC name of 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene (CID 139324179) is 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene?
The canonical SMILES for 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene is COc1c(C)c(OC)c(Cl)c(I)c1F.
What is the InChIKey of 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene?
The InChIKey is FWMQDWOAWSOSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFIO2/c1-4-8(13-2)5(10)7(12)6(11)9(4)14-3/h1-3H3.
What are the key properties of 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene?
1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene has a molecular weight of 330.52 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene is sourced from PubChem (CID 139324179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).