3-ethoxy-1-iodo-2,4-dimethoxybenzene

C10H13IO3 — CID 118835970

IUPAC3-ethoxy-1-iodo-2,4-dimethoxybenzene
SMILESCCOc1c(OC)ccc(I)c1OC
InChIInChI=1S/C10H13IO3/c1-4-14-10-8(12-2)6-5-7(11)9(10)13-3/h5-6H,4H2,1-3H3
InChIKeyYBCCKJXTAFQYEY-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.71
Rot. Bonds4

About 3-ethoxy-1-iodo-2,4-dimethoxybenzene

3-ethoxy-1-iodo-2,4-dimethoxybenzene (PubChem CID 118835970) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 3-ethoxy-1-iodo-2,4-dimethoxybenzene.

Molecular Properties

Compound Name3-ethoxy-1-iodo-2,4-dimethoxybenzene
PubChem CID118835970
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name3-ethoxy-1-iodo-2,4-dimethoxybenzene
SMILESCCOc1c(OC)ccc(I)c1OC
InChIInChI=1S/C10H13IO3/c1-4-14-10-8(12-2)6-5-7(11)9(10)13-3/h5-6H,4H2,1-3H3
InChIKeyYBCCKJXTAFQYEY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
1-ethoxy-2-methoxynaphthalene
CID 45093938
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
2-ethoxy-1,3-diiodobenzene
CID 165359155
2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
3-ethoxy-4,5,6-trimethoxyphenanthrene
CID 16638082
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
3-iodo-2,6-dimethoxy-N,N-dimethylaniline
CID 174519773
3-ethoxy-2,4-diiodophenol
CID 118990980
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-iodo-2,4-dimethoxybenzene?
The IUPAC name of 3-ethoxy-1-iodo-2,4-dimethoxybenzene (CID 118835970) is 3-ethoxy-1-iodo-2,4-dimethoxybenzene.
What is the SMILES notation for 3-ethoxy-1-iodo-2,4-dimethoxybenzene?
The canonical SMILES for 3-ethoxy-1-iodo-2,4-dimethoxybenzene is CCOc1c(OC)ccc(I)c1OC.
What is the InChIKey of 3-ethoxy-1-iodo-2,4-dimethoxybenzene?
The InChIKey is YBCCKJXTAFQYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-4-14-10-8(12-2)6-5-7(11)9(10)13-3/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethoxy-1-iodo-2,4-dimethoxybenzene?
3-ethoxy-1-iodo-2,4-dimethoxybenzene has a molecular weight of 308.12 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-iodo-2,4-dimethoxybenzene is sourced from PubChem (CID 118835970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).