1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene

C11H13IO2 — CID 166445394

IUPAC1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(OC)ccc1I
InChIInChI=1S/C11H13IO2/c1-8(2)7-14-11-6-9(13-3)4-5-10(11)12/h4-6H,1,7H2,2-3H3
InChIKeyVKLOCBYCDRYPTQ-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.25
Rot. Bonds4

About 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene

1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene (PubChem CID 166445394) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
PubChem CID166445394
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(OC)ccc1I
InChIInChI=1S/C11H13IO2/c1-8(2)7-14-11-6-9(13-3)4-5-10(11)12/h4-6H,1,7H2,2-3H3
InChIKeyVKLOCBYCDRYPTQ-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride
CID 177477124
1-(4-iodo-3-methoxyphenoxy)propan-2-one
CID 59267144
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 137445339
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
3-methoxy-4-(2-methylprop-2-enoxy)benzonitrile
CID 2972917

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene (CID 166445394) is 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene is C=C(C)COc1cc(OC)ccc1I.
What is the InChIKey of 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene?
The InChIKey is VKLOCBYCDRYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-8(2)7-14-11-6-9(13-3)4-5-10(11)12/h4-6H,1,7H2,2-3H3.
What are the key properties of 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene?
1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene has a molecular weight of 304.13 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 166445394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).