[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol

C14H11F2IO2 — CID 79888019

IUPAC[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(F)c(OCc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C14H11F2IO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2
InChIKeyIVQMCSYNDVMWJI-UHFFFAOYSA-N
MW376.14 g/mol
LogP3.64
Rot. Bonds4

About [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol

[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol (PubChem CID 79888019) has the molecular formula C14H11F2IO2 and a molecular weight of 376.14 g/mol. Its IUPAC name is [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
PubChem CID79888019
Molecular FormulaC14H11F2IO2
Molecular Weight376.14 g/mol
Exact Mass375.98
IUPAC Name[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(F)c(OCc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C14H11F2IO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2
InChIKeyIVQMCSYNDVMWJI-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 53.64
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

[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
CID 81269320
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 45371652
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol (CID 79888019) is [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol is OCc1cc(F)c(OCc2ccc(I)cc2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol?
The InChIKey is IVQMCSYNDVMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2IO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2.
What are the key properties of [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol?
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol has a molecular weight of 376.14 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 79888019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).