(4-iodo-2-phenoxyphenyl)-phenylmethanone

C19H13IO2 — CID 67055516

IUPAC(4-iodo-2-phenoxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(I)cc1Oc1ccccc1
InChIInChI=1S/C19H13IO2/c20-15-11-12-17(19(21)14-7-3-1-4-8-14)18(13-15)22-16-9-5-2-6-10-16/h1-13H
InChIKeyRSEISEXCBBXREU-UHFFFAOYSA-N
MW400.22 g/mol
LogP5.31
Rot. Bonds4

About (4-iodo-2-phenoxyphenyl)-phenylmethanone

(4-iodo-2-phenoxyphenyl)-phenylmethanone (PubChem CID 67055516) has the molecular formula C19H13IO2 and a molecular weight of 400.22 g/mol. Its IUPAC name is (4-iodo-2-phenoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-iodo-2-phenoxyphenyl)-phenylmethanone
PubChem CID67055516
Molecular FormulaC19H13IO2
Molecular Weight400.22 g/mol
Exact Mass400.00
IUPAC Name(4-iodo-2-phenoxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(I)cc1Oc1ccccc1
InChIInChI=1S/C19H13IO2/c20-15-11-12-17(19(21)14-7-3-1-4-8-14)18(13-15)22-16-9-5-2-6-10-16/h1-13H
InChIKeyRSEISEXCBBXREU-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.22
LogP ≤ 55.31
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

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592
3-iodo-5-phenoxybenzoic acid
CID 139966945
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
CID 167363578
3,4-diphenoxybenzoic acid
CID 70590459
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677

Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-phenoxyphenyl)-phenylmethanone?
The IUPAC name of (4-iodo-2-phenoxyphenyl)-phenylmethanone (CID 67055516) is (4-iodo-2-phenoxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-iodo-2-phenoxyphenyl)-phenylmethanone?
The canonical SMILES for (4-iodo-2-phenoxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(I)cc1Oc1ccccc1.
What is the InChIKey of (4-iodo-2-phenoxyphenyl)-phenylmethanone?
The InChIKey is RSEISEXCBBXREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IO2/c20-15-11-12-17(19(21)14-7-3-1-4-8-14)18(13-15)22-16-9-5-2-6-10-16/h1-13H.
What are the key properties of (4-iodo-2-phenoxyphenyl)-phenylmethanone?
(4-iodo-2-phenoxyphenyl)-phenylmethanone has a molecular weight of 400.22 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-phenoxyphenyl)-phenylmethanone is sourced from PubChem (CID 67055516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).