1-iodo-4-[(2-phenylphenoxy)methyl]benzene

C19H15IO — CID 65489526

IUPAC1-iodo-4-[(2-phenylphenoxy)methyl]benzene
SMILESIc1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C19H15IO/c20-17-12-10-15(11-13-17)14-21-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyYSZUIFIJCOEWLL-UHFFFAOYSA-N
MW386.23 g/mol
LogP5.54
Rot. Bonds4

About 1-iodo-4-[(2-phenylphenoxy)methyl]benzene

1-iodo-4-[(2-phenylphenoxy)methyl]benzene (PubChem CID 65489526) has the molecular formula C19H15IO and a molecular weight of 386.23 g/mol. Its IUPAC name is 1-iodo-4-[(2-phenylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(2-phenylphenoxy)methyl]benzene
PubChem CID65489526
Molecular FormulaC19H15IO
Molecular Weight386.23 g/mol
Exact Mass386.02
IUPAC Name1-iodo-4-[(2-phenylphenoxy)methyl]benzene
SMILESIc1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C19H15IO/c20-17-12-10-15(11-13-17)14-21-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyYSZUIFIJCOEWLL-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.23
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553
(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 154814748
4-[(2-phenylphenoxy)methyl]pyridin-2-amine
CID 62464761
1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
CID 23193647
2-[(4-iodophenyl)methoxy]-4-phenylthiophene-3-carbonitrile
CID 137380518
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
2-chloro-3-[(4-iodophenyl)methoxy]pyridine
CID 65476581

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(2-phenylphenoxy)methyl]benzene?
The IUPAC name of 1-iodo-4-[(2-phenylphenoxy)methyl]benzene (CID 65489526) is 1-iodo-4-[(2-phenylphenoxy)methyl]benzene.
What is the SMILES notation for 1-iodo-4-[(2-phenylphenoxy)methyl]benzene?
The canonical SMILES for 1-iodo-4-[(2-phenylphenoxy)methyl]benzene is Ic1ccc(COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-iodo-4-[(2-phenylphenoxy)methyl]benzene?
The InChIKey is YSZUIFIJCOEWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IO/c20-17-12-10-15(11-13-17)14-21-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of 1-iodo-4-[(2-phenylphenoxy)methyl]benzene?
1-iodo-4-[(2-phenylphenoxy)methyl]benzene has a molecular weight of 386.23 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(2-phenylphenoxy)methyl]benzene is sourced from PubChem (CID 65489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).