(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol

C18H29NO3 — CID 69415318

IUPAC(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc(C2CNC[C@]2(C)[C@@H](C)O)cc1OC(C)(C)C
InChIInChI=1S/C18H29NO3/c1-12(20)18(5)11-19-10-14(18)13-7-8-15(21-6)16(9-13)22-17(2,3)4/h7-9,12,14,19-20H,10-11H2,1-6H3/t12-,14?,18-/m1/s1
InChIKeyYUDAGXIXBFAWEJ-NMVBYFEMSA-N
MW307.43 g/mol
LogP2.95
Rot. Bonds4

About (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol

(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol (PubChem CID 69415318) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol
PubChem CID69415318
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol
SMILESCOc1ccc(C2CNC[C@]2(C)[C@@H](C)O)cc1OC(C)(C)C
InChIInChI=1S/C18H29NO3/c1-12(20)18(5)11-19-10-14(18)13-7-8-15(21-6)16(9-13)22-17(2,3)4/h7-9,12,14,19-20H,10-11H2,1-6H3/t12-,14?,18-/m1/s1
InChIKeyYUDAGXIXBFAWEJ-NMVBYFEMSA-N
XLogP2.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol (CID 69415318) is (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol is COc1ccc(C2CNC[C@]2(C)[C@@H](C)O)cc1OC(C)(C)C.
What is the InChIKey of (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol?
The InChIKey is YUDAGXIXBFAWEJ-NMVBYFEMSA-N. The full InChI is InChI=1S/C18H29NO3/c1-12(20)18(5)11-19-10-14(18)13-7-8-15(21-6)16(9-13)22-17(2,3)4/h7-9,12,14,19-20H,10-11H2,1-6H3/t12-,14?,18-/m1/s1.
What are the key properties of (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol?
(1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol has a molecular weight of 307.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-4-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 69415318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).