1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol

C20H29NO4 — CID 143139701

IUPAC1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC=C(O)C2)cc1OC
InChIInChI=1S/C20H29NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-9,13,17-18,22H,3-6,10-12,14H2,1-2H3/t17-,18-/m1/s1
InChIKeyXAPKNUVDXXCUOV-QZTJIDSGSA-N
MW347.45 g/mol
LogP3.33
Rot. Bonds7

About 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol

1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol (PubChem CID 143139701) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol.

Molecular Properties

Compound Name1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol
PubChem CID143139701
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC=C(O)C2)cc1OC
InChIInChI=1S/C20H29NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-9,13,17-18,22H,3-6,10-12,14H2,1-2H3/t17-,18-/m1/s1
InChIKeyXAPKNUVDXXCUOV-QZTJIDSGSA-N
XLogP3.33
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidine
CID 16735227
(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
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine
CID 16737718
(3R)-1-[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
CID 11773573
[1-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-yl] acetate
CID 66877779
4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine
CID 58648750
trans-(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexan-1-amine;hydrochloride
CID 68603153
(3S)-1-[(1R,2R)-2-[2-[3,4-bis(trideuterio(113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 76974269
(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexane-1-carboxylic acid
CID 126658672
(1R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexane-1-carboxamide
CID 126658675

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol?
The IUPAC name of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol (CID 143139701) is 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol.
What is the SMILES notation for 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol?
The canonical SMILES for 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol is COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC=C(O)C2)cc1OC.
What is the InChIKey of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol?
The InChIKey is XAPKNUVDXXCUOV-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H29NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-9,13,17-18,22H,3-6,10-12,14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol?
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol has a molecular weight of 347.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol is sourced from PubChem (CID 143139701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).