2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol

C20H16I2O2 — CID 54243876

IUPAC2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
SMILESOc1c(I)cc(Cc2ccc(OCc3ccccc3)cc2)cc1I
InChIInChI=1S/C20H16I2O2/c21-18-11-16(12-19(22)20(18)23)10-14-6-8-17(9-7-14)24-13-15-4-2-1-3-5-15/h1-9,11-12,23H,10,13H2
InChIKeyQRWSCOGKZXMBFA-UHFFFAOYSA-N
MW542.15 g/mol
LogP5.77
Rot. Bonds5

About 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol

2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol (PubChem CID 54243876) has the molecular formula C20H16I2O2 and a molecular weight of 542.15 g/mol. Its IUPAC name is 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
PubChem CID54243876
Molecular FormulaC20H16I2O2
Molecular Weight542.15 g/mol
Exact Mass541.92
IUPAC Name2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
SMILESOc1c(I)cc(Cc2ccc(OCc3ccccc3)cc2)cc1I
InChIInChI=1S/C20H16I2O2/c21-18-11-16(12-19(22)20(18)23)10-14-6-8-17(9-7-14)24-13-15-4-2-1-3-5-15/h1-9,11-12,23H,10,13H2
InChIKeyQRWSCOGKZXMBFA-UHFFFAOYSA-N
XLogP5.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.15
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium
CID 165155217
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760

Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol?
The IUPAC name of 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol (CID 54243876) is 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol.
What is the SMILES notation for 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol?
The canonical SMILES for 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol is Oc1c(I)cc(Cc2ccc(OCc3ccccc3)cc2)cc1I.
What is the InChIKey of 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol?
The InChIKey is QRWSCOGKZXMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16I2O2/c21-18-11-16(12-19(22)20(18)23)10-14-6-8-17(9-7-14)24-13-15-4-2-1-3-5-15/h1-9,11-12,23H,10,13H2.
What are the key properties of 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol?
2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol has a molecular weight of 542.15 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol is sourced from PubChem (CID 54243876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).