1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol

C20H33NO4 — CID 142965061

IUPAC1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CCO)cc1OC.OC1CCN(C2CCCCC2)C1
InChIInChI=1S/C10H19NO.C10H14O3/c12-10-6-7-11(8-10)9-4-2-1-3-5-9;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h9-10,12H,1-8H2;3-4,7,11H,5-6H2,1-2H3
InChIKeyKMZKHFSTAWCHDI-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol

1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol (PubChem CID 142965061) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol
PubChem CID142965061
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CCO)cc1OC.OC1CCN(C2CCCCC2)C1
InChIInChI=1S/C10H19NO.C10H14O3/c12-10-6-7-11(8-10)9-4-2-1-3-5-9;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h9-10,12H,1-8H2;3-4,7,11H,5-6H2,1-2H3
InChIKeyKMZKHFSTAWCHDI-UHFFFAOYSA-N
XLogP2.62
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116
(3R)-1-[(1R,2S)-2-[2-[3,4-di((113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11639643
1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59679744
(3R)-1-[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
CID 11773573
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
1-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)butan-1-one
CID 18456269
(3S)-1-[(1R,2R)-2-[2-[3,4-bis(trideuterio(113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 76974269
(3R)-1-[2-[2-[4-(2-aminoethoxy)-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59432629
(3R)-1-[(1S,2S)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 58637355
(3R)-1-[(1S,2S)-2-[2-(4-methoxy-3-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;sulfane;hydrochloride
CID 169425207
4-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide
CID 23885078

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol (CID 142965061) is 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol is COc1ccc(CCO)cc1OC.OC1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is KMZKHFSTAWCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C10H14O3/c12-10-6-7-11(8-10)9-4-2-1-3-5-9;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h9-10,12H,1-8H2;3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol?
1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 351.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidin-3-ol;2-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 142965061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).