1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene

C12H17IO5 — CID 12002858

IUPAC1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene
SMILESCOCOc1c(OC)ccc(C(OC)OC)c1I
InChIInChI=1S/C12H17IO5/c1-14-7-18-11-9(15-2)6-5-8(10(11)13)12(16-3)17-4/h5-6,12H,7H2,1-4H3
InChIKeyVIWXAKNBKCVORC-UHFFFAOYSA-N
MW368.17 g/mol
LogP2.57
Rot. Bonds7

About 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene

1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene (PubChem CID 12002858) has the molecular formula C12H17IO5 and a molecular weight of 368.17 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene
PubChem CID12002858
Molecular FormulaC12H17IO5
Molecular Weight368.17 g/mol
Exact Mass368.01
IUPAC Name1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene
SMILESCOCOc1c(OC)ccc(C(OC)OC)c1I
InChIInChI=1S/C12H17IO5/c1-14-7-18-11-9(15-2)6-5-8(10(11)13)12(16-3)17-4/h5-6,12H,7H2,1-4H3
InChIKeyVIWXAKNBKCVORC-UHFFFAOYSA-N
XLogP2.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
CID 171367766
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol
CID 19812670
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
CID 164886491
3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene
CID 171397463
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
1-[3,6-dimethoxy-2-(methoxymethoxy)phenyl]-1-hydroxybut-3-en-2-one
CID 101416110

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene?
The IUPAC name of 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene (CID 12002858) is 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene is COCOc1c(OC)ccc(C(OC)OC)c1I.
What is the InChIKey of 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene?
The InChIKey is VIWXAKNBKCVORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO5/c1-14-7-18-11-9(15-2)6-5-8(10(11)13)12(16-3)17-4/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene?
1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene has a molecular weight of 368.17 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-iodo-4-methoxy-3-(methoxymethoxy)benzene is sourced from PubChem (CID 12002858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).