(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone

C15H12ClIO2 — CID 114029899

IUPAC(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cccc(C)c1I
InChIInChI=1S/C15H12ClIO2/c1-9-4-3-5-11(14(9)17)15(18)12-8-10(16)6-7-13(12)19-2/h3-8H,1-2H3
InChIKeyRHCQLNYSJMLRED-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.49
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone

(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone (PubChem CID 114029899) has the molecular formula C15H12ClIO2 and a molecular weight of 386.62 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
PubChem CID114029899
Molecular FormulaC15H12ClIO2
Molecular Weight386.62 g/mol
Exact Mass385.96
IUPAC Name(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cccc(C)c1I
InChIInChI=1S/C15H12ClIO2/c1-9-4-3-5-11(14(9)17)15(18)12-8-10(16)6-7-13(12)19-2/h3-8H,1-2H3
InChIKeyRHCQLNYSJMLRED-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544982
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
1-benzothiophen-7-yl-(5-chloro-2-methoxyphenyl)methanone
CID 115791072
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone (CID 114029899) is (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1cccc(C)c1I.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone?
The InChIKey is RHCQLNYSJMLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO2/c1-9-4-3-5-11(14(9)17)15(18)12-8-10(16)6-7-13(12)19-2/h3-8H,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone?
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone has a molecular weight of 386.62 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone is sourced from PubChem (CID 114029899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).