1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol

C18H29NO5S — CID 71906741

IUPAC1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2S(=O)(=O)CCOC(C)C)cc1
InChIInChI=1S/C18H29NO5S/c1-14(2)24-12-13-25(21,22)19-11-5-6-17(19)18(3,20)15-7-9-16(23-4)10-8-15/h7-10,14,17,20H,5-6,11-13H2,1-4H3
InChIKeyJZORLFBONGUKJF-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.12
Rot. Bonds8

About 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol

1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol (PubChem CID 71906741) has the molecular formula C18H29NO5S and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol
PubChem CID71906741
Molecular FormulaC18H29NO5S
Molecular Weight371.50 g/mol
Exact Mass371.18
IUPAC Name1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2S(=O)(=O)CCOC(C)C)cc1
InChIInChI=1S/C18H29NO5S/c1-14(2)24-12-13-25(21,22)19-11-5-6-17(19)18(3,20)15-7-9-16(23-4)10-8-15/h7-10,14,17,20H,5-6,11-13H2,1-4H3
InChIKeyJZORLFBONGUKJF-UHFFFAOYSA-N
XLogP2.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol (CID 71906741) is 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol is COc1ccc(C(C)(O)C2CCCN2S(=O)(=O)CCOC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol?
The InChIKey is JZORLFBONGUKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5S/c1-14(2)24-12-13-25(21,22)19-11-5-6-17(19)18(3,20)15-7-9-16(23-4)10-8-15/h7-10,14,17,20H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol?
1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol has a molecular weight of 371.50 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 71906741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).