[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol

C16H15ClF3NO3 — CID 69318802

IUPAC[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol
SMILESCCOCc1cc(CO)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H15ClF3NO3/c1-2-23-9-11-3-10(8-22)4-13(5-11)24-15-14(17)6-12(7-21-15)16(18,19)20/h3-7,22H,2,8-9H2,1H3
InChIKeyREHQJNHSPCKUCB-UHFFFAOYSA-N
MW361.75 g/mol
LogP4.57
Rot. Bonds6

About [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol

[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol (PubChem CID 69318802) has the molecular formula C16H15ClF3NO3 and a molecular weight of 361.75 g/mol. Its IUPAC name is [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol
PubChem CID69318802
Molecular FormulaC16H15ClF3NO3
Molecular Weight361.75 g/mol
Exact Mass361.07
IUPAC Name[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol
SMILESCCOCc1cc(CO)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H15ClF3NO3/c1-2-23-9-11-3-10(8-22)4-13(5-11)24-15-14(17)6-12(7-21-15)16(18,19)20/h3-7,22H,2,8-9H2,1H3
InChIKeyREHQJNHSPCKUCB-UHFFFAOYSA-N
XLogP4.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol?
The IUPAC name of [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol (CID 69318802) is [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol.
What is the SMILES notation for [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol?
The canonical SMILES for [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol is CCOCc1cc(CO)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol?
The InChIKey is REHQJNHSPCKUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3/c1-2-23-9-11-3-10(8-22)4-13(5-11)24-15-14(17)6-12(7-21-15)16(18,19)20/h3-7,22H,2,8-9H2,1H3.
What are the key properties of [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol?
[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol has a molecular weight of 361.75 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-5-(ethoxymethyl)phenyl]methanol is sourced from PubChem (CID 69318802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).