[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol

C19H29NO4 — CID 70196911

IUPAC[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(C2(OCCN3CCC[C@@H]3CO)CCCCO2)cc1
InChIInChI=1S/C19H29NO4/c1-22-18-8-6-16(7-9-18)19(10-2-3-13-23-19)24-14-12-20-11-4-5-17(20)15-21/h6-9,17,21H,2-5,10-15H2,1H3/t17-,19?/m1/s1
InChIKeyOKPBJUCOVVWZNB-DUSLRRAJSA-N
MW335.44 g/mol
LogP2.52
Rot. Bonds7

About [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol (PubChem CID 70196911) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol
PubChem CID70196911
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(C2(OCCN3CCC[C@@H]3CO)CCCCO2)cc1
InChIInChI=1S/C19H29NO4/c1-22-18-8-6-16(7-9-18)19(10-2-3-13-23-19)24-14-12-20-11-4-5-17(20)15-21/h6-9,17,21H,2-5,10-15H2,1H3/t17-,19?/m1/s1
InChIKeyOKPBJUCOVVWZNB-DUSLRRAJSA-N
XLogP2.52
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol (CID 70196911) is [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol is COc1ccc(C2(OCCN3CCC[C@@H]3CO)CCCCO2)cc1.
What is the InChIKey of [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol?
The InChIKey is OKPBJUCOVVWZNB-DUSLRRAJSA-N. The full InChI is InChI=1S/C19H29NO4/c1-22-18-8-6-16(7-9-18)19(10-2-3-13-23-19)24-14-12-20-11-4-5-17(20)15-21/h6-9,17,21H,2-5,10-15H2,1H3/t17-,19?/m1/s1.
What are the key properties of [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol has a molecular weight of 335.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[2-(4-methoxyphenyl)oxan-2-yl]oxyethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70196911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).