[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

C18H18FNO3 — CID 131945890

IUPAC[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c1
InChIInChI=1S/C18H18FNO3/c1-23-17-8-3-2-7-14(17)12-5-4-6-13(9-12)18(22)20-10-15(19)16(21)11-20/h2-9,15-16,21H,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyQGMHPOZWQVZHRE-HZPDHXFCSA-N
MW315.34 g/mol
LogP2.52
Rot. Bonds3

About [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone

[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (PubChem CID 131945890) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
PubChem CID131945890
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c1
InChIInChI=1S/C18H18FNO3/c1-23-17-8-3-2-7-14(17)12-5-4-6-13(9-12)18(22)20-10-15(19)16(21)11-20/h2-9,15-16,21H,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyQGMHPOZWQVZHRE-HZPDHXFCSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 155499944
(3aS,6aS)-5-[3-(2-methoxyphenyl)benzoyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 163317338
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 131889781
3-(2-methoxyphenyl)benzoic acid
CID 2759547
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[6-(2-fluoro-3-methylphenyl)naphthalen-2-yl]methanone
CID 172661042
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[6-(2-methylsulfanylphenyl)naphthalen-2-yl]methanone
CID 172669795
2-(4-methoxyphenyl)-1-[4-[3-(2-methoxyphenyl)benzoyl]piperazin-1-yl]ethanone
CID 134802866
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 91793401
[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 163309134

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone (CID 131945890) is [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is COc1ccccc1-c1cccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c1.
What is the InChIKey of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is QGMHPOZWQVZHRE-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-23-17-8-3-2-7-14(17)12-5-4-6-13(9-12)18(22)20-10-15(19)16(21)11-20/h2-9,15-16,21H,10-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 315.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 131945890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).