(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone

C15H13IO3 — CID 43337349

IUPAC(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H13IO3/c1-18-12-6-7-14(19-2)13(9-12)15(17)10-4-3-5-11(16)8-10/h3-9H,1-2H3
InChIKeySOVDSTUQHVOHEI-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.54
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone

(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone (PubChem CID 43337349) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
PubChem CID43337349
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Name(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H13IO3/c1-18-12-6-7-14(19-2)13(9-12)15(17)10-4-3-5-11(16)8-10/h3-9H,1-2H3
InChIKeySOVDSTUQHVOHEI-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491316
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
CID 63490601
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone (CID 43337349) is (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone is COc1ccc(OC)c(C(=O)c2cccc(I)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone?
The InChIKey is SOVDSTUQHVOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c1-18-12-6-7-14(19-2)13(9-12)15(17)10-4-3-5-11(16)8-10/h3-9H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone?
(2,5-dimethoxyphenyl)-(3-iodophenyl)methanone has a molecular weight of 368.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-iodophenyl)methanone is sourced from PubChem (CID 43337349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).