1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol

C19H15I3O — CID 163739706

IUPAC1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
SMILESIc1ccc(I)cc1.OC(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C13H11IO.C6H4I2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;7-5-1-2-6(8)4-3-5/h1-9,13,15H;1-4H
InChIKeyLGRZYBILDPMXSL-UHFFFAOYSA-N
MW640.04 g/mol
LogP6.27
Rot. Bonds2

About 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol

1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol (PubChem CID 163739706) has the molecular formula C19H15I3O and a molecular weight of 640.04 g/mol. Its IUPAC name is 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol.

Molecular Properties

Compound Name1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
PubChem CID163739706
Molecular FormulaC19H15I3O
Molecular Weight640.04 g/mol
Exact Mass639.83
IUPAC Name1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
SMILESIc1ccc(I)cc1.OC(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C13H11IO.C6H4I2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;7-5-1-2-6(8)4-3-5/h1-9,13,15H;1-4H
InChIKeyLGRZYBILDPMXSL-UHFFFAOYSA-N
XLogP6.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.04
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
(3-chlorophenyl)-(4-iodophenyl)methanol
CID 114982492
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid
CID 99773321
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol?
The IUPAC name of 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol (CID 163739706) is 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol.
What is the SMILES notation for 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol?
The canonical SMILES for 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol is Ic1ccc(I)cc1.OC(c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol?
The InChIKey is LGRZYBILDPMXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO.C6H4I2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;7-5-1-2-6(8)4-3-5/h1-9,13,15H;1-4H.
What are the key properties of 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol?
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol has a molecular weight of 640.04 g/mol, XLogP of 6.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol is sourced from PubChem (CID 163739706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).