1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C19H25NO3S — CID 110913043

IUPAC1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCOc1ccc(C2CCN(CC(O)COCc3cccs3)C2)cc1
InChIInChI=1S/C19H25NO3S/c1-22-18-6-4-15(5-7-18)16-8-9-20(11-16)12-17(21)13-23-14-19-3-2-10-24-19/h2-7,10,16-17,21H,8-9,11-14H2,1H3
InChIKeyMDLKMISXARYBRR-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.12
Rot. Bonds8

About 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 110913043) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID110913043
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCOc1ccc(C2CCN(CC(O)COCc3cccs3)C2)cc1
InChIInChI=1S/C19H25NO3S/c1-22-18-6-4-15(5-7-18)16-8-9-20(11-16)12-17(21)13-23-14-19-3-2-10-24-19/h2-7,10,16-17,21H,8-9,11-14H2,1H3
InChIKeyMDLKMISXARYBRR-UHFFFAOYSA-N
XLogP3.12
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75420766
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111106170
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 46798047
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]morpholine-2-carbonitrile
CID 111105473
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98775062
1-[4-[3-(diethylamino)propyl]piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75453728
1-[1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]imidazolidin-2-one
CID 95329642

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 110913043) is 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is COc1ccc(C2CCN(CC(O)COCc3cccs3)C2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is MDLKMISXARYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-22-18-6-4-15(5-7-18)16-8-9-20(11-16)12-17(21)13-23-14-19-3-2-10-24-19/h2-7,10,16-17,21H,8-9,11-14H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 347.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110913043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).