2-butoxy-1-iodo-4-methylbenzene

C11H15IO — CID 174551219

IUPAC2-butoxy-1-iodo-4-methylbenzene
SMILESCCCCOc1cc(C)ccc1I
InChIInChI=1S/C11H15IO/c1-3-4-7-13-11-8-9(2)5-6-10(11)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKLBRRMXHZUUQPZ-UHFFFAOYSA-N
MW290.14 g/mol
LogP3.78
Rot. Bonds4

About 2-butoxy-1-iodo-4-methylbenzene

2-butoxy-1-iodo-4-methylbenzene (PubChem CID 174551219) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 2-butoxy-1-iodo-4-methylbenzene.

Molecular Properties

Compound Name2-butoxy-1-iodo-4-methylbenzene
PubChem CID174551219
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name2-butoxy-1-iodo-4-methylbenzene
SMILESCCCCOc1cc(C)ccc1I
InChIInChI=1S/C11H15IO/c1-3-4-7-13-11-8-9(2)5-6-10(11)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKLBRRMXHZUUQPZ-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
3-hexoxy-4-iodoaniline
CID 139793985
2-butoxy-4-methylbenzaldehyde
CID 162455333
1-butoxy-4-methyl-2-methylsulfanylbenzene
CID 22950612
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
4-methyl-2-propoxyaniline
CID 24698653
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
4-methyl-2-tetradecoxyphenol
CID 19014152

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-iodo-4-methylbenzene?
The IUPAC name of 2-butoxy-1-iodo-4-methylbenzene (CID 174551219) is 2-butoxy-1-iodo-4-methylbenzene.
What is the SMILES notation for 2-butoxy-1-iodo-4-methylbenzene?
The canonical SMILES for 2-butoxy-1-iodo-4-methylbenzene is CCCCOc1cc(C)ccc1I.
What is the InChIKey of 2-butoxy-1-iodo-4-methylbenzene?
The InChIKey is KLBRRMXHZUUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c1-3-4-7-13-11-8-9(2)5-6-10(11)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-butoxy-1-iodo-4-methylbenzene?
2-butoxy-1-iodo-4-methylbenzene has a molecular weight of 290.14 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-iodo-4-methylbenzene is sourced from PubChem (CID 174551219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).