(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol

C14H10F3IO2 — CID 115796305

IUPAC(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(I)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3IO2/c15-14(16,17)20-12-6-2-4-10(8-12)13(19)9-3-1-5-11(18)7-9/h1-8,13,19H
InChIKeyHIYULRORNLJRJR-UHFFFAOYSA-N
MW394.13 g/mol
LogP4.27
Rot. Bonds3

About (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol

(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 115796305) has the molecular formula C14H10F3IO2 and a molecular weight of 394.13 g/mol. Its IUPAC name is (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID115796305
Molecular FormulaC14H10F3IO2
Molecular Weight394.13 g/mol
Exact Mass393.97
IUPAC Name(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(I)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3IO2/c15-14(16,17)20-12-6-2-4-10(8-12)13(19)9-3-1-5-11(18)7-9/h1-8,13,19H
InChIKeyHIYULRORNLJRJR-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.13
LogP ≤ 54.27
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-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 105096572
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 115796305) is (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol is OC(c1cccc(I)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is HIYULRORNLJRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IO2/c15-14(16,17)20-12-6-2-4-10(8-12)13(19)9-3-1-5-11(18)7-9/h1-8,13,19H.
What are the key properties of (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 394.13 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 115796305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).