2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene

C12H15IO — CID 118362054

IUPAC2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene
SMILESC=Cc1cc(C(C)(C)I)ccc1OC
InChIInChI=1S/C12H15IO/c1-5-9-8-10(12(2,3)13)6-7-11(9)14-4/h5-8H,1H2,2-4H3
InChIKeyIRLGKGNUWIESOM-UHFFFAOYSA-N
MW302.16 g/mol
LogP4.01
Rot. Bonds3

About 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene

2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene (PubChem CID 118362054) has the molecular formula C12H15IO and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene.

Molecular Properties

Compound Name2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene
PubChem CID118362054
Molecular FormulaC12H15IO
Molecular Weight302.16 g/mol
Exact Mass302.02
IUPAC Name2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene
SMILESC=Cc1cc(C(C)(C)I)ccc1OC
InChIInChI=1S/C12H15IO/c1-5-9-8-10(12(2,3)13)6-7-11(9)14-4/h5-8H,1H2,2-4H3
InChIKeyIRLGKGNUWIESOM-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
CID 11333181
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
tert-butyl 4-(3-ethenyl-4-methoxyphenyl)benzoate
CID 178183612
7-ethenyl-1,2,6-trimethoxynaphthalene
CID 66593812
2-(3-ethenyl-4-propan-2-yloxyphenyl)-N,2-dimethylpropan-1-amine
CID 134565167
O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine
CID 144957240
tert-butyl-(2-ethenyl-4-methoxyphenoxy)-dimethylsilane
CID 10945326
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254
[2-ethenyl-4-(2-phenylpropan-2-yl)phenoxy]-ethyl-dimethyl-λ4-sulfane
CID 123724258

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene?
The IUPAC name of 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene (CID 118362054) is 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene.
What is the SMILES notation for 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene?
The canonical SMILES for 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene is C=Cc1cc(C(C)(C)I)ccc1OC.
What is the InChIKey of 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene?
The InChIKey is IRLGKGNUWIESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-5-9-8-10(12(2,3)13)6-7-11(9)14-4/h5-8H,1H2,2-4H3.
What are the key properties of 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene?
2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene has a molecular weight of 302.16 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(2-iodopropan-2-yl)-1-methoxybenzene is sourced from PubChem (CID 118362054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).