(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol

C18H17Cl2F2NO3 — CID 118033202

IUPAC(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol
SMILESO[C@@H](Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(COC2CC2)c1
InChIInChI=1S/C18H17Cl2F2NO3/c19-14-7-23-8-15(20)13(14)6-16(24)10-1-4-17(26-18(21)22)11(5-10)9-25-12-2-3-12/h1,4-5,7-8,12,16,18,24H,2-3,6,9H2/t16-/m0/s1
InChIKeyWMFDZOZXPATXRF-INIZCTEOSA-N
MW404.24 g/mol
LogP4.94
Rot. Bonds8

About (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol

(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol (PubChem CID 118033202) has the molecular formula C18H17Cl2F2NO3 and a molecular weight of 404.24 g/mol. Its IUPAC name is (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol
PubChem CID118033202
Molecular FormulaC18H17Cl2F2NO3
Molecular Weight404.24 g/mol
Exact Mass403.06
IUPAC Name(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol
SMILESO[C@@H](Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(COC2CC2)c1
InChIInChI=1S/C18H17Cl2F2NO3/c19-14-7-23-8-15(20)13(14)6-16(24)10-1-4-17(26-18(21)22)11(5-10)9-25-12-2-3-12/h1,4-5,7-8,12,16,18,24H,2-3,6,9H2/t16-/m0/s1
InChIKeyWMFDZOZXPATXRF-INIZCTEOSA-N
XLogP4.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol with MolForge

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Related Compounds

(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-methylpyridin-1-ium-4-yl)ethanol
CID 159814042
[2-(cyclopropylmethoxy)-4-[2-(3,5-dichloro-4-pyridinyl)-1-hydroxyethyl]phenyl] hypofluorite
CID 70861939
[5-chlorooxy-4-[(2S)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-pyridinyl] hypochlorite
CID 134323952
(1S)-2-(3-chloro-4-pyridinyl)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethanol
CID 129109350
1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol hydroxide
CID 162338970
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propyl]pyridine
CID 71201853
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
CID 57323256
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-(cyclopropylmethoxy)-3-(hydroxymethyl)benzoate
CID 90205239
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] propanoate
CID 71174216
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 4-aminobenzoate
CID 90192446
2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1-[4-(difluoromethoxy)-3-propoxyphenyl]ethanol
CID 90186728
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] pyrrolidine-2-carboxylate
CID 78006618

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol?
The IUPAC name of (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol (CID 118033202) is (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol is O[C@@H](Cc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(COC2CC2)c1.
What is the InChIKey of (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol?
The InChIKey is WMFDZOZXPATXRF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17Cl2F2NO3/c19-14-7-23-8-15(20)13(14)6-16(24)10-1-4-17(26-18(21)22)11(5-10)9-25-12-2-3-12/h1,4-5,7-8,12,16,18,24H,2-3,6,9H2/t16-/m0/s1.
What are the key properties of (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol?
(1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol has a molecular weight of 404.24 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(cyclopropyloxymethyl)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethanol is sourced from PubChem (CID 118033202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).