(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol

C23H29NO3 — CID 51595829

IUPAC(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC1CCCC1
InChIInChI=1S/C23H29NO3/c1-26-22-15-18(11-12-21(22)27-20-9-5-6-10-20)16-24-14-13-23(25,17-24)19-7-3-2-4-8-19/h2-4,7-8,11-12,15,20,25H,5-6,9-10,13-14,16-17H2,1H3/t23-/m0/s1
InChIKeyLVUIPOZXMFASPQ-QHCPKHFHSA-N
MW367.49 g/mol
LogP4.11
Rot. Bonds6

About (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol

(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 51595829) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID51595829
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC1CCCC1
InChIInChI=1S/C23H29NO3/c1-26-22-15-18(11-12-21(22)27-20-9-5-6-10-20)16-24-14-13-23(25,17-24)19-7-3-2-4-8-19/h2-4,7-8,11-12,15,20,25H,5-6,9-10,13-14,16-17H2,1H3/t23-/m0/s1
InChIKeyLVUIPOZXMFASPQ-QHCPKHFHSA-N
XLogP4.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674082
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
(3R)-1-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99962045
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46955110
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
1-[(3-carboxy-4-methoxyphenyl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 91836844
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674031
(3S)-1-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-phenylpyrrolidin-3-ol
CID 124802517
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol (CID 51595829) is (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol is COc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC1CCCC1.
What is the InChIKey of (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is LVUIPOZXMFASPQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29NO3/c1-26-22-15-18(11-12-21(22)27-20-9-5-6-10-20)16-24-14-13-23(25,17-24)19-7-3-2-4-8-19/h2-4,7-8,11-12,15,20,25H,5-6,9-10,13-14,16-17H2,1H3/t23-/m0/s1.
What are the key properties of (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 367.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 51595829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).