cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

C19H27NO3 — CID 97063459

IUPACcyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@H](O)[C@H]2CCCN2C(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-23-16-11-9-14(10-12-16)18(21)17-8-5-13-20(17)19(22)15-6-3-2-4-7-15/h9-12,15,17-18,21H,2-8,13H2,1H3/t17-,18+/m1/s1
InChIKeyMIGVAHUJHPJGMP-MSOLQXFVSA-N
MW317.43 g/mol
LogP3.30
Rot. Bonds4

About cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 97063459) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID97063459
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namecyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@H](O)[C@H]2CCCN2C(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-23-16-11-9-14(10-12-16)18(21)17-8-5-13-20(17)19(22)15-6-3-2-4-7-15/h9-12,15,17-18,21H,2-8,13H2,1H3/t17-,18+/m1/s1
InChIKeyMIGVAHUJHPJGMP-MSOLQXFVSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97063463
(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 101213323
1-(3,4-dimethoxyphenyl)-2-[2-[hydroxy-(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone
CID 110174725
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol
CID 177412112
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (2S)-2-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxylate
CID 67289222
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 119695947
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909
1-[2-(4-methoxyphenyl)butanoyl]piperidine-2-carboxylic acid
CID 120684614

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (CID 97063459) is cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is COc1ccc([C@H](O)[C@H]2CCCN2C(=O)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is MIGVAHUJHPJGMP-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27NO3/c1-23-16-11-9-14(10-12-16)18(21)17-8-5-13-20(17)19(22)15-6-3-2-4-7-15/h9-12,15,17-18,21H,2-8,13H2,1H3/t17-,18+/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97063459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).