(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol

C14H11F2IO — CID 79731098

IUPAC(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
SMILESCc1cc(C(O)c2ccc(I)cc2)c(F)cc1F
InChIInChI=1S/C14H11F2IO/c1-8-6-11(13(16)7-12(8)15)14(18)9-2-4-10(17)5-3-9/h2-7,14,18H,1H3
InChIKeyZSTOMQNGOPMQAT-UHFFFAOYSA-N
MW360.14 g/mol
LogP3.96
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol

(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol (PubChem CID 79731098) has the molecular formula C14H11F2IO and a molecular weight of 360.14 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
PubChem CID79731098
Molecular FormulaC14H11F2IO
Molecular Weight360.14 g/mol
Exact Mass359.98
IUPAC Name(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
SMILESCc1cc(C(O)c2ccc(I)cc2)c(F)cc1F
InChIInChI=1S/C14H11F2IO/c1-8-6-11(13(16)7-12(8)15)14(18)9-2-4-10(17)5-3-9/h2-7,14,18H,1H3
InChIKeyZSTOMQNGOPMQAT-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 53.96
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

[4-(difluoromethoxy)phenyl]-(2,4-difluoro-5-methylphenyl)methanol
CID 79725993
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
CID 61080761
(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303353

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol (CID 79731098) is (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol is Cc1cc(C(O)c2ccc(I)cc2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol?
The InChIKey is ZSTOMQNGOPMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2IO/c1-8-6-11(13(16)7-12(8)15)14(18)9-2-4-10(17)5-3-9/h2-7,14,18H,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol?
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol has a molecular weight of 360.14 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 79731098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).