(4-iodo-2-methoxyphenyl) propanoate

C10H11IO3 — CID 129282160

IUPAC(4-iodo-2-methoxyphenyl) propanoate
SMILESCCC(=O)Oc1ccc(I)cc1OC
InChIInChI=1S/C10H11IO3/c1-3-10(12)14-8-5-4-7(11)6-9(8)13-2/h4-6H,3H2,1-2H3
InChIKeyVRZBPMSINFNXIJ-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.62
Rot. Bonds3

About (4-iodo-2-methoxyphenyl) propanoate

(4-iodo-2-methoxyphenyl) propanoate (PubChem CID 129282160) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is (4-iodo-2-methoxyphenyl) propanoate.

Molecular Properties

Compound Name(4-iodo-2-methoxyphenyl) propanoate
PubChem CID129282160
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Name(4-iodo-2-methoxyphenyl) propanoate
SMILESCCC(=O)Oc1ccc(I)cc1OC
InChIInChI=1S/C10H11IO3/c1-3-10(12)14-8-5-4-7(11)6-9(8)13-2/h4-6H,3H2,1-2H3
InChIKeyVRZBPMSINFNXIJ-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-methoxyphenyl) propanoate
CID 174969176
[4-[(Z)-[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-methoxyphenyl] propanoate
CID 21231158
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
(4-ethyl-2-propanoyloxyphenyl) propanoate
CID 90024003
[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 139527455
(2-amino-4-methoxyphenyl) propanoate
CID 163982026
[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 170072293
[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate
CID 17360234
(2-benzoyl-4,5-dimethoxyphenyl) propanoate
CID 69459736
[4-(bromomethyl)-2-propanoyloxyphenyl] propanoate
CID 22615901
methyl 3-(5-iodo-2-methoxyphenyl)propanoate
CID 82552102
(2,4-dimethoxyphenyl) pentanoate
CID 91361677

Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-methoxyphenyl) propanoate?
The IUPAC name of (4-iodo-2-methoxyphenyl) propanoate (CID 129282160) is (4-iodo-2-methoxyphenyl) propanoate.
What is the SMILES notation for (4-iodo-2-methoxyphenyl) propanoate?
The canonical SMILES for (4-iodo-2-methoxyphenyl) propanoate is CCC(=O)Oc1ccc(I)cc1OC.
What is the InChIKey of (4-iodo-2-methoxyphenyl) propanoate?
The InChIKey is VRZBPMSINFNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-3-10(12)14-8-5-4-7(11)6-9(8)13-2/h4-6H,3H2,1-2H3.
What are the key properties of (4-iodo-2-methoxyphenyl) propanoate?
(4-iodo-2-methoxyphenyl) propanoate has a molecular weight of 306.10 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-methoxyphenyl) propanoate is sourced from PubChem (CID 129282160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).