[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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Related Compounds

3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
[3-ethoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol;3-(hydroxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 87631704
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(1,3-diethoxypropan-2-yloxy)phenyl]propan-1-ol
CID 68551354
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
CID 68552856
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
(5R)-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]hexane-2,4-dione
CID 54039823

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).