2-tert-butyl-1-iodo-3-methoxybenzene

C11H15IO — CID 146377094

IUPAC2-tert-butyl-1-iodo-3-methoxybenzene
SMILESCOc1cccc(I)c1C(C)(C)C
InChIInChI=1S/C11H15IO/c1-11(2,3)10-8(12)6-5-7-9(10)13-4/h5-7H,1-4H3
InChIKeyCBDIQBOYOSFBQR-UHFFFAOYSA-N
MW290.14 g/mol
LogP3.60
Rot. Bonds1

About 2-tert-butyl-1-iodo-3-methoxybenzene

2-tert-butyl-1-iodo-3-methoxybenzene (PubChem CID 146377094) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 2-tert-butyl-1-iodo-3-methoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-iodo-3-methoxybenzene
PubChem CID146377094
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name2-tert-butyl-1-iodo-3-methoxybenzene
SMILESCOc1cccc(I)c1C(C)(C)C
InChIInChI=1S/C11H15IO/c1-11(2,3)10-8(12)6-5-7-9(10)13-4/h5-7H,1-4H3
InChIKeyCBDIQBOYOSFBQR-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.60
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

2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene
CID 146376700
N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline
CID 59819325
(2-iodo-6-methoxyphenyl)silane
CID 158954394
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 19417903
3-tert-butyl-1-iodo-2,4-dimethoxybenzene;4-iodo-1,3-benzodioxole
CID 67836872
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
2-iodo-7-methoxycyclohepta-2,4,6-trien-1-one
CID 102239319
1,3-diiodo-2-methoxybenzene
CID 12610037
methyl 2-iodo-6-methoxybenzoate
CID 91882308

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-iodo-3-methoxybenzene?
The IUPAC name of 2-tert-butyl-1-iodo-3-methoxybenzene (CID 146377094) is 2-tert-butyl-1-iodo-3-methoxybenzene.
What is the SMILES notation for 2-tert-butyl-1-iodo-3-methoxybenzene?
The canonical SMILES for 2-tert-butyl-1-iodo-3-methoxybenzene is COc1cccc(I)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-iodo-3-methoxybenzene?
The InChIKey is CBDIQBOYOSFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c1-11(2,3)10-8(12)6-5-7-9(10)13-4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-1-iodo-3-methoxybenzene?
2-tert-butyl-1-iodo-3-methoxybenzene has a molecular weight of 290.14 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-iodo-3-methoxybenzene is sourced from PubChem (CID 146377094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).