2-(iodomethyl)-1,3,5-trimethoxybenzene

C10H13IO3 — CID 10946751

IUPAC2-(iodomethyl)-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(CI)c(OC)c1
InChIInChI=1S/C10H13IO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,6H2,1-3H3
InChIKeyCWIXGPXQLQNPHM-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.65
Rot. Bonds4

About 2-(iodomethyl)-1,3,5-trimethoxybenzene

2-(iodomethyl)-1,3,5-trimethoxybenzene (PubChem CID 10946751) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(iodomethyl)-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-(iodomethyl)-1,3,5-trimethoxybenzene
PubChem CID10946751
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name2-(iodomethyl)-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(CI)c(OC)c1
InChIInChI=1S/C10H13IO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,6H2,1-3H3
InChIKeyCWIXGPXQLQNPHM-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
(2,4,6-trimethoxyphenyl)methylsulfanylmethanol
CID 129121161
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
(2,4,6-trimethoxyphenyl)methyl methanesulfonate
CID 102620850
2-(5-bromopentyl)-1,3,5-trimethoxybenzene
CID 56956628
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
3,5-dimethoxy-2-propylaniline
CID 141261453
1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
CID 22900363
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1,3,5-trimethoxybenzene?
The IUPAC name of 2-(iodomethyl)-1,3,5-trimethoxybenzene (CID 10946751) is 2-(iodomethyl)-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-(iodomethyl)-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-(iodomethyl)-1,3,5-trimethoxybenzene is COc1cc(OC)c(CI)c(OC)c1.
What is the InChIKey of 2-(iodomethyl)-1,3,5-trimethoxybenzene?
The InChIKey is CWIXGPXQLQNPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,6H2,1-3H3.
What are the key properties of 2-(iodomethyl)-1,3,5-trimethoxybenzene?
2-(iodomethyl)-1,3,5-trimethoxybenzene has a molecular weight of 308.12 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,3,5-trimethoxybenzene is sourced from PubChem (CID 10946751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).