3-[(4-iodophenyl)methoxy]phenol

C13H11IO2 — CID 65476812

IUPAC3-[(4-iodophenyl)methoxy]phenol
SMILESOc1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C13H11IO2/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8,15H,9H2
InChIKeyUCFAVHXARCMMTI-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.58
Rot. Bonds3

About 3-[(4-iodophenyl)methoxy]phenol

3-[(4-iodophenyl)methoxy]phenol (PubChem CID 65476812) has the molecular formula C13H11IO2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxy]phenol.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxy]phenol
PubChem CID65476812
Molecular FormulaC13H11IO2
Molecular Weight326.13 g/mol
Exact Mass325.98
IUPAC Name3-[(4-iodophenyl)methoxy]phenol
SMILESOc1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C13H11IO2/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8,15H,9H2
InChIKeyUCFAVHXARCMMTI-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.58
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

CID 91469
CID 91469
CID 5281727
CID 5281727
CID 7638
CID 7638
CID 219100
CID 219100
CID 382975
CID 382975
CID 76674
CID 76674
CID 12842
CID 12842
CID 5473050
CID 5473050
CID 5281719
CID 5281719
CID 6255462
CID 6255462
CID 10466989
CID 10466989
CID 5281296
CID 5281296

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxy]phenol?
The IUPAC name of 3-[(4-iodophenyl)methoxy]phenol (CID 65476812) is 3-[(4-iodophenyl)methoxy]phenol.
What is the SMILES notation for 3-[(4-iodophenyl)methoxy]phenol?
The canonical SMILES for 3-[(4-iodophenyl)methoxy]phenol is Oc1cccc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 3-[(4-iodophenyl)methoxy]phenol?
The InChIKey is UCFAVHXARCMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8,15H,9H2.
What are the key properties of 3-[(4-iodophenyl)methoxy]phenol?
3-[(4-iodophenyl)methoxy]phenol has a molecular weight of 326.13 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methoxy]phenol is sourced from PubChem (CID 65476812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).