1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol

C19H20F3NO3 — CID 165424536

IUPAC1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN2CCC(O)C2)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3/c1-25-18-6-5-13(11-23-8-7-15(24)12-23)9-17(18)14-3-2-4-16(10-14)26-19(20,21)22/h2-6,9-10,15,24H,7-8,11-12H2,1H3
InChIKeyNDVCKTUHEZBCOL-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.83
Rot. Bonds5

About 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol

1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 165424536) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol
PubChem CID165424536
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN2CCC(O)C2)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H20F3NO3/c1-25-18-6-5-13(11-23-8-7-15(24)12-23)9-17(18)14-3-2-4-16(10-14)26-19(20,21)22/h2-6,9-10,15,24H,7-8,11-12H2,1H3
InChIKeyNDVCKTUHEZBCOL-UHFFFAOYSA-N
XLogP3.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
1-[[4-methoxy-3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methyl]pyrrolidin-3-ol
CID 170510986
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
CID 24733680
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol (CID 165424536) is 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol is COc1ccc(CN2CCC(O)C2)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is NDVCKTUHEZBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-25-18-6-5-13(11-23-8-7-15(24)12-23)9-17(18)14-3-2-4-16(10-14)26-19(20,21)22/h2-6,9-10,15,24H,7-8,11-12H2,1H3.
What are the key properties of 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol?
1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 367.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 165424536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).