1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol

C17H18ClNO2 — CID 167805625

IUPAC1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol
SMILESOc1cccc(CN2CC(O)CC2c2ccccc2)c1Cl
InChIInChI=1S/C17H18ClNO2/c18-17-13(7-4-8-16(17)21)10-19-11-14(20)9-15(19)12-5-2-1-3-6-12/h1-8,14-15,20-21H,9-11H2
InChIKeyPNPLKFPTPDQYJG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.35
Rot. Bonds3

About 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol

1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol (PubChem CID 167805625) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol
PubChem CID167805625
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol
SMILESOc1cccc(CN2CC(O)CC2c2ccccc2)c1Cl
InChIInChI=1S/C17H18ClNO2/c18-17-13(7-4-8-16(17)21)10-19-11-14(20)9-15(19)12-5-2-1-3-6-12/h1-8,14-15,20-21H,9-11H2
InChIKeyPNPLKFPTPDQYJG-UHFFFAOYSA-N
XLogP3.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol (CID 167805625) is 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol is Oc1cccc(CN2CC(O)CC2c2ccccc2)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol?
The InChIKey is PNPLKFPTPDQYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-17-13(7-4-8-16(17)21)10-19-11-14(20)9-15(19)12-5-2-1-3-6-12/h1-8,14-15,20-21H,9-11H2.
What are the key properties of 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol?
1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol has a molecular weight of 303.79 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-hydroxyphenyl)methyl]-5-phenylpyrrolidin-3-ol is sourced from PubChem (CID 167805625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).