(2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol

C20H15ClF2O2 — CID 10689911

IUPAC(2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol
SMILESCOc1ccc(F)c(C(O)(c2ccc(F)cc2)c2ccccc2Cl)c1
InChIInChI=1S/C20H15ClF2O2/c1-25-15-10-11-19(23)17(12-15)20(24,13-6-8-14(22)9-7-13)16-4-2-3-5-18(16)21/h2-12,24H,1H3
InChIKeyBLDLKLOCJSWKBT-UHFFFAOYSA-N
MW360.79 g/mol
LogP4.91
Rot. Bonds4

About (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol

(2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol (PubChem CID 10689911) has the molecular formula C20H15ClF2O2 and a molecular weight of 360.79 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol
PubChem CID10689911
Molecular FormulaC20H15ClF2O2
Molecular Weight360.79 g/mol
Exact Mass360.07
IUPAC Name(2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol
SMILESCOc1ccc(F)c(C(O)(c2ccc(F)cc2)c2ccccc2Cl)c1
InChIInChI=1S/C20H15ClF2O2/c1-25-15-10-11-19(23)17(12-15)20(24,13-6-8-14(22)9-7-13)16-4-2-3-5-18(16)21/h2-12,24H,1H3
InChIKeyBLDLKLOCJSWKBT-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol (CID 10689911) is (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol is COc1ccc(F)c(C(O)(c2ccc(F)cc2)c2ccccc2Cl)c1.
What is the InChIKey of (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol?
The InChIKey is BLDLKLOCJSWKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2O2/c1-25-15-10-11-19(23)17(12-15)20(24,13-6-8-14(22)9-7-13)16-4-2-3-5-18(16)21/h2-12,24H,1H3.
What are the key properties of (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol?
(2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol has a molecular weight of 360.79 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-fluoro-5-methoxyphenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 10689911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).