1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol

C20H25NO3 — CID 143526541

IUPAC1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(C(O)(C[C@H]2CCCN2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-23-18-9-5-15(6-10-18)20(22,14-17-4-3-13-21-17)16-7-11-19(24-2)12-8-16/h5-12,17,21-22H,3-4,13-14H2,1-2H3/t17-/m1/s1
InChIKeyDFNNAPSVVJTJFT-QGZVFWFLSA-N
MW327.42 g/mol
LogP3.08
Rot. Bonds6

About 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol

1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol (PubChem CID 143526541) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol
PubChem CID143526541
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(C(O)(C[C@H]2CCCN2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-23-18-9-5-15(6-10-18)20(22,14-17-4-3-13-21-17)16-7-11-19(24-2)12-8-16/h5-12,17,21-22H,3-4,13-14H2,1-2H3/t17-/m1/s1
InChIKeyDFNNAPSVVJTJFT-QGZVFWFLSA-N
XLogP3.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-[1-(4-methoxyphenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599038
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602440
3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol
CID 21436176
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol?
The IUPAC name of 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol (CID 143526541) is 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol is COc1ccc(C(O)(C[C@H]2CCCN2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol?
The InChIKey is DFNNAPSVVJTJFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-18-9-5-15(6-10-18)20(22,14-17-4-3-13-21-17)16-7-11-19(24-2)12-8-16/h5-12,17,21-22H,3-4,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol?
1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol has a molecular weight of 327.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 143526541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).