2-iodo-1-methoxy-4-(2-methylpropyl)benzene

C11H15IO — CID 153170033

IUPAC2-iodo-1-methoxy-4-(2-methylpropyl)benzene
SMILESCOc1ccc(CC(C)C)cc1I
InChIInChI=1S/C11H15IO/c1-8(2)6-9-4-5-11(13-3)10(12)7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyWEALUVSKCCRFRR-UHFFFAOYSA-N
MW290.14 g/mol
LogP3.50
Rot. Bonds3

About 2-iodo-1-methoxy-4-(2-methylpropyl)benzene

2-iodo-1-methoxy-4-(2-methylpropyl)benzene (PubChem CID 153170033) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 2-iodo-1-methoxy-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-iodo-1-methoxy-4-(2-methylpropyl)benzene
PubChem CID153170033
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name2-iodo-1-methoxy-4-(2-methylpropyl)benzene
SMILESCOc1ccc(CC(C)C)cc1I
InChIInChI=1S/C11H15IO/c1-8(2)6-9-4-5-11(13-3)10(12)7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyWEALUVSKCCRFRR-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.50
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

3-(3-iodo-4-methoxyphenyl)-2-methylpropanal
CID 91884316
2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 139881431
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-iodo-4-[4-(3-iodo-4-methoxyphenyl)butyl]-1-methoxybenzene
CID 71345262
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
2-methoxy-N-methyl-5-(2-methylpropyl)aniline
CID 138652047
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
2-[2-methoxy-4-(2-methylpropyl)phenyl]acetonitrile
CID 54516875
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methoxy-4-(2-methylpropyl)benzene?
The IUPAC name of 2-iodo-1-methoxy-4-(2-methylpropyl)benzene (CID 153170033) is 2-iodo-1-methoxy-4-(2-methylpropyl)benzene.
What is the SMILES notation for 2-iodo-1-methoxy-4-(2-methylpropyl)benzene?
The canonical SMILES for 2-iodo-1-methoxy-4-(2-methylpropyl)benzene is COc1ccc(CC(C)C)cc1I.
What is the InChIKey of 2-iodo-1-methoxy-4-(2-methylpropyl)benzene?
The InChIKey is WEALUVSKCCRFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c1-8(2)6-9-4-5-11(13-3)10(12)7-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-iodo-1-methoxy-4-(2-methylpropyl)benzene?
2-iodo-1-methoxy-4-(2-methylpropyl)benzene has a molecular weight of 290.14 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methoxy-4-(2-methylpropyl)benzene is sourced from PubChem (CID 153170033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).