4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol

C17H17Cl2NO — CID 56948023

IUPAC4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol
SMILESCN1C[C@@H](c2cc(Cl)ccc2O)[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H17Cl2NO/c1-20-9-14(12-4-2-3-5-16(12)19)15(10-20)13-8-11(18)6-7-17(13)21/h2-8,14-15,21H,9-10H2,1H3/t14-,15-/m0/s1
InChIKeyWVJVUJUZRFNUBS-GJZGRUSLSA-N
MW322.24 g/mol
LogP4.51
Rot. Bonds2

About 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol

4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol (PubChem CID 56948023) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol
PubChem CID56948023
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol
SMILESCN1C[C@@H](c2cc(Cl)ccc2O)[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H17Cl2NO/c1-20-9-14(12-4-2-3-5-16(12)19)15(10-20)13-8-11(18)6-7-17(13)21/h2-8,14-15,21H,9-10H2,1H3/t14-,15-/m0/s1
InChIKeyWVJVUJUZRFNUBS-GJZGRUSLSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol?
The IUPAC name of 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol (CID 56948023) is 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol is CN1C[C@@H](c2cc(Cl)ccc2O)[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol?
The InChIKey is WVJVUJUZRFNUBS-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-20-9-14(12-4-2-3-5-16(12)19)15(10-20)13-8-11(18)6-7-17(13)21/h2-8,14-15,21H,9-10H2,1H3/t14-,15-/m0/s1.
What are the key properties of 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol?
4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol has a molecular weight of 322.24 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3R,4R)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-yl]phenol is sourced from PubChem (CID 56948023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).