1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene

C13H19IO — CID 137433400

IUPAC1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene
SMILESCOCc1c(C)cc(I)c(C(C)C)c1C
InChIInChI=1S/C13H19IO/c1-8(2)13-10(4)11(7-15-5)9(3)6-12(13)14/h6,8H,7H2,1-5H3
InChIKeyRUJCFYILXLRPQV-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.18
Rot. Bonds3

About 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene

1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene (PubChem CID 137433400) has the molecular formula C13H19IO and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene
PubChem CID137433400
Molecular FormulaC13H19IO
Molecular Weight318.20 g/mol
Exact Mass318.05
IUPAC Name1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene
SMILESCOCc1c(C)cc(I)c(C(C)C)c1C
InChIInChI=1S/C13H19IO/c1-8(2)13-10(4)11(7-15-5)9(3)6-12(13)14/h6,8H,7H2,1-5H3
InChIKeyRUJCFYILXLRPQV-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(methoxymethyl)-2,3,5,6-tetramethylphenyl]ethanol
CID 605416
5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 159719962
3,8-dimethoxy-1-(methoxymethyl)-6-methyl-4-propan-2-ylnaphthalen-2-ol
CID 72792790
1,3-diiodo-2,5-di(propan-2-yl)benzene
CID 166848646
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene
CID 12721344
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
ethane;[2-(methoxymethyl)-3,5-dimethylphenyl]boronic acid
CID 145351621
4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene
CID 146408442
N-(2-methoxyethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43190158
5-methoxy-1-methyl-3-[(2-methyl-3-propan-2-ylphenyl)methyl]-2-propan-2-ylbenzene
CID 135215833
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene?
The IUPAC name of 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene (CID 137433400) is 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene is COCc1c(C)cc(I)c(C(C)C)c1C.
What is the InChIKey of 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene?
The InChIKey is RUJCFYILXLRPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO/c1-8(2)13-10(4)11(7-15-5)9(3)6-12(13)14/h6,8H,7H2,1-5H3.
What are the key properties of 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene?
1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene has a molecular weight of 318.20 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(methoxymethyl)-3,5-dimethyl-2-propan-2-ylbenzene is sourced from PubChem (CID 137433400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).