1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol

C17H16ClF2NO2 — CID 171062182

IUPAC1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(F)c(OCc3ccc(Cl)cc3)cc2F)C1
InChIInChI=1S/C17H16ClF2NO2/c18-12-3-1-11(2-4-12)10-23-17-8-14(19)16(7-15(17)20)21-6-5-13(22)9-21/h1-4,7-8,13,22H,5-6,9-10H2
InChIKeyYQTWCBYZVANTNO-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.77
Rot. Bonds4

About 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol

1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol (PubChem CID 171062182) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol
PubChem CID171062182
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(F)c(OCc3ccc(Cl)cc3)cc2F)C1
InChIInChI=1S/C17H16ClF2NO2/c18-12-3-1-11(2-4-12)10-23-17-8-14(19)16(7-15(17)20)21-6-5-13(22)9-21/h1-4,7-8,13,22H,5-6,9-10H2
InChIKeyYQTWCBYZVANTNO-UHFFFAOYSA-N
XLogP3.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 11676220
2-[(2S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218630
1-(4-Chlorophenyl)-3-(4-methoxyanilino)-1-propanol
CID 3273693
4-({2-[(4-Chlorobenzyl)oxy]benzyl}amino)phenol
CID 833991
2-[(2R)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 137647107
2-Oxazolidinone, 3-(4-((3-chlorophenyl)methoxy)phenyl)-5-(hydroxymethyl)-
CID 3049204
1-[4-[(2,4-Dichlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxylic acid
CID 137637488
2-Oxazolidinone, 3-(4-((4-fluorophenyl)methoxy)phenyl)-5-(hydroxymethyl)-
CID 3049205
2-Oxazolidinone, 3-(4-((3-fluorophenyl)methoxy)phenyl)-5-(hydroxymethyl)-
CID 3049206
1-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-(4-fluorophenoxy)-2-propanol dihydrochloride
CID 2920049
3-[4-(3-Chloro-benzyloxy)-phenyl]-5-dimethylaminomethyl-oxazolidin-2-one;hydrochloride
CID 14966401
[4-chloro-2-(4-methoxy-N-methylanilino)phenyl]methanol
CID 72374822

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol (CID 171062182) is 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol is OC1CCN(c2cc(F)c(OCc3ccc(Cl)cc3)cc2F)C1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol?
The InChIKey is YQTWCBYZVANTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c18-12-3-1-11(2-4-12)10-23-17-8-14(19)16(7-15(17)20)21-6-5-13(22)9-21/h1-4,7-8,13,22H,5-6,9-10H2.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol?
1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol has a molecular weight of 339.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-2,5-difluorophenyl]pyrrolidin-3-ol is sourced from PubChem (CID 171062182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).