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

C23H29NO3 — CID 16674082

IUPAC1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1cc(CN2CCC(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
InChIKeyLVUIPOZXMFASPQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.11
Rot. Bonds6

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

1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 16674082) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID16674082
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1cc(CN2CCC(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
InChIKeyLVUIPOZXMFASPQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol (CID 16674082) is 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol is COc1cc(CN2CCC(O)(c3ccccc3)C2)ccc1OC1CCCC1.
What is the InChIKey of 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is LVUIPOZXMFASPQ-UHFFFAOYSA-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.
What are the key properties of 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol?
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 1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 16674082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).