1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol

C21H27NO3 — CID 111437418

IUPAC1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCOc1ccccc1C1CCN(CC(O)COCc2ccccc2)C1
InChIInChI=1S/C21H27NO3/c1-24-21-10-6-5-9-20(21)18-11-12-22(13-18)14-19(23)16-25-15-17-7-3-2-4-8-17/h2-10,18-19,23H,11-16H2,1H3
InChIKeyXCMKTLQGHFLCPE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.06
Rot. Bonds8

About 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol

1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 111437418) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID111437418
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCOc1ccccc1C1CCN(CC(O)COCc2ccccc2)C1
InChIInChI=1S/C21H27NO3/c1-24-21-10-6-5-9-20(21)18-11-12-22(13-18)14-19(23)16-25-15-17-7-3-2-4-8-17/h2-10,18-19,23H,11-16H2,1H3
InChIKeyXCMKTLQGHFLCPE-UHFFFAOYSA-N
XLogP3.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
CID 74227411
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 110929071
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 112734049

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol (CID 111437418) is 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol is COc1ccccc1C1CCN(CC(O)COCc2ccccc2)C1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is XCMKTLQGHFLCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-24-21-10-6-5-9-20(21)18-11-12-22(13-18)14-19(23)16-25-15-17-7-3-2-4-8-17/h2-10,18-19,23H,11-16H2,1H3.
What are the key properties of 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol?
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 341.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 111437418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).