1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene

C12H15IO — CID 166446723

IUPAC1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene
SMILESC=C(COc1ccccc1I)C(C)C
InChIInChI=1S/C12H15IO/c1-9(2)10(3)8-14-12-7-5-4-6-11(12)13/h4-7,9H,3,8H2,1-2H3
InChIKeyRQGYMWXMJRRFEE-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.88
Rot. Bonds4

About 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene

1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene (PubChem CID 166446723) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene.

Molecular Properties

Compound Name1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene
PubChem CID166446723
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene
SMILESC=C(COc1ccccc1I)C(C)C
InChIInChI=1S/C12H15IO/c1-9(2)10(3)8-14-12-7-5-4-6-11(12)13/h4-7,9H,3,8H2,1-2H3
InChIKeyRQGYMWXMJRRFEE-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
1-(2,2-dimethoxyethoxy)-2-iodobenzene
CID 66221266
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 55685058
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
[2-hydroxy-3-(2-iodophenoxy)propyl] 2-methylprop-2-enoate
CID 171726363
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
1-bromo-3-(2-iodophenoxy)propan-2-ol
CID 112560670

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene?
The IUPAC name of 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene (CID 166446723) is 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene.
What is the SMILES notation for 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene?
The canonical SMILES for 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene is C=C(COc1ccccc1I)C(C)C.
What is the InChIKey of 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene?
The InChIKey is RQGYMWXMJRRFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-9(2)10(3)8-14-12-7-5-4-6-11(12)13/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene?
1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene has a molecular weight of 302.15 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene is sourced from PubChem (CID 166446723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).