1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone

C15H12ClIO2 — CID 91863438

IUPAC1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2I)cc1Cl
InChIInChI=1S/C15H12ClIO2/c1-10(18)13-7-6-12(8-14(13)16)19-9-11-4-2-3-5-15(11)17/h2-8H,9H2,1H3
InChIKeyAUVLLJSAMHDBAG-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.73
Rot. Bonds4

About 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone

1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone (PubChem CID 91863438) has the molecular formula C15H12ClIO2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
PubChem CID91863438
Molecular FormulaC15H12ClIO2
Molecular Weight386.62 g/mol
Exact Mass385.96
IUPAC Name1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2I)cc1Cl
InChIInChI=1S/C15H12ClIO2/c1-10(18)13-7-6-12(8-14(13)16)19-9-11-4-2-3-5-15(11)17/h2-8H,9H2,1H3
InChIKeyAUVLLJSAMHDBAG-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.73
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

1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864376
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
1-[4-[(2-hydroxyphenyl)methoxy]-2-nitrophenyl]ethanone
CID 91863294
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone (CID 91863438) is 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ccccc2I)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone?
The InChIKey is AUVLLJSAMHDBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO2/c1-10(18)13-7-6-12(8-14(13)16)19-9-11-4-2-3-5-15(11)17/h2-8H,9H2,1H3.
What are the key properties of 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone?
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone has a molecular weight of 386.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 91863438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).