[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol

C15H13F3O2 — CID 172651631

IUPAC[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol
SMILESCCOc1cc(-c2cc(F)c(F)cc2F)ccc1CO
InChIInChI=1S/C15H13F3O2/c1-2-20-15-5-9(3-4-10(15)8-19)11-6-13(17)14(18)7-12(11)16/h3-7,19H,2,8H2,1H3
InChIKeyDAVZWQHNPVLGEC-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.66
Rot. Bonds4

About [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol

[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol (PubChem CID 172651631) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol
PubChem CID172651631
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol
SMILESCCOc1cc(-c2cc(F)c(F)cc2F)ccc1CO
InChIInChI=1S/C15H13F3O2/c1-2-20-15-5-9(3-4-10(15)8-19)11-6-13(17)14(18)7-12(11)16/h3-7,19H,2,8H2,1H3
InChIKeyDAVZWQHNPVLGEC-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol?
The IUPAC name of [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol (CID 172651631) is [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol.
What is the SMILES notation for [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol?
The canonical SMILES for [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol is CCOc1cc(-c2cc(F)c(F)cc2F)ccc1CO.
What is the InChIKey of [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol?
The InChIKey is DAVZWQHNPVLGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-2-20-15-5-9(3-4-10(15)8-19)11-6-13(17)14(18)7-12(11)16/h3-7,19H,2,8H2,1H3.
What are the key properties of [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol?
[2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-(2,4,5-trifluorophenyl)phenyl]methanol is sourced from PubChem (CID 172651631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).