2-(3,4-difluoro-2-iodophenyl)phenol

C12H7F2IO — CID 172627178

IUPAC2-(3,4-difluoro-2-iodophenyl)phenol
SMILESOc1ccccc1-c1ccc(F)c(F)c1I
InChIInChI=1S/C12H7F2IO/c13-9-6-5-8(12(15)11(9)14)7-3-1-2-4-10(7)16/h1-6,16H
InChIKeyKVBYQHISCYTBRY-UHFFFAOYSA-N
MW332.09 g/mol
LogP3.94
Rot. Bonds1

About 2-(3,4-difluoro-2-iodophenyl)phenol

2-(3,4-difluoro-2-iodophenyl)phenol (PubChem CID 172627178) has the molecular formula C12H7F2IO and a molecular weight of 332.09 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-iodophenyl)phenol.

Molecular Properties

Compound Name2-(3,4-difluoro-2-iodophenyl)phenol
PubChem CID172627178
Molecular FormulaC12H7F2IO
Molecular Weight332.09 g/mol
Exact Mass331.95
IUPAC Name2-(3,4-difluoro-2-iodophenyl)phenol
SMILESOc1ccccc1-c1ccc(F)c(F)c1I
InChIInChI=1S/C12H7F2IO/c13-9-6-5-8(12(15)11(9)14)7-3-1-2-4-10(7)16/h1-6,16H
InChIKeyKVBYQHISCYTBRY-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoronaphthalen-1-yl)phenol
CID 174532409
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
2-(2,5-difluorophenyl)phenol
CID 53218546
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
2-(5-bromo-2-fluorophenyl)phenol
CID 83128574
1-fluoro-3-(2-fluorophenyl)-2-iodobenzene
CID 46313915
2-(4-fluoronaphthalen-1-yl)benzene-1,3-diol
CID 19593567
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
5-amino-2-(2-fluorophenyl)phenol
CID 22023317
2-(4-chloronaphthalen-1-yl)phenol
CID 175271825

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-iodophenyl)phenol?
The IUPAC name of 2-(3,4-difluoro-2-iodophenyl)phenol (CID 172627178) is 2-(3,4-difluoro-2-iodophenyl)phenol.
What is the SMILES notation for 2-(3,4-difluoro-2-iodophenyl)phenol?
The canonical SMILES for 2-(3,4-difluoro-2-iodophenyl)phenol is Oc1ccccc1-c1ccc(F)c(F)c1I.
What is the InChIKey of 2-(3,4-difluoro-2-iodophenyl)phenol?
The InChIKey is KVBYQHISCYTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2IO/c13-9-6-5-8(12(15)11(9)14)7-3-1-2-4-10(7)16/h1-6,16H.
What are the key properties of 2-(3,4-difluoro-2-iodophenyl)phenol?
2-(3,4-difluoro-2-iodophenyl)phenol has a molecular weight of 332.09 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-2-iodophenyl)phenol is sourced from PubChem (CID 172627178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).