1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone

C19H19NO4 — CID 118770031

IUPAC1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)ccc1O
InChIInChI=1S/C19H19NO4/c1-12(21)17-10-15(6-7-18(17)23)13-2-4-14(5-3-13)19(24)20-9-8-16(22)11-20/h2-7,10,16,22-23H,8-9,11H2,1H3/t16-/m1/s1
InChIKeyYVTLTQRXOXRFEP-MRXNPFEDSA-N
MW325.36 g/mol
LogP2.47
Rot. Bonds3

About 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone

1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone (PubChem CID 118770031) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
PubChem CID118770031
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)ccc1O
InChIInChI=1S/C19H19NO4/c1-12(21)17-10-15(6-7-18(17)23)13-2-4-14(5-3-13)19(24)20-9-8-16(22)11-20/h2-7,10,16,22-23H,8-9,11H2,1H3/t16-/m1/s1
InChIKeyYVTLTQRXOXRFEP-MRXNPFEDSA-N
XLogP2.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone (CID 118770031) is 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone is CC(=O)c1cc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
The InChIKey is YVTLTQRXOXRFEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(21)17-10-15(6-7-18(17)23)13-2-4-14(5-3-13)19(24)20-9-8-16(22)11-20/h2-7,10,16,22-23H,8-9,11H2,1H3/t16-/m1/s1.
What are the key properties of 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone?
1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone has a molecular weight of 325.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 118770031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).