(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol

C18H21NO2 — CID 70210957

IUPAC(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol
SMILESOCc1ccc(-c2ccc(C[C@@H]3C[C@@H](O)CN3)cc2)cc1
InChIInChI=1S/C18H21NO2/c20-12-14-3-7-16(8-4-14)15-5-1-13(2-6-15)9-17-10-18(21)11-19-17/h1-8,17-21H,9-12H2/t17-,18-/m1/s1
InChIKeySCTYHTAKGBCETJ-QZTJIDSGSA-N
MW283.37 g/mol
LogP2.11
Rot. Bonds4

About (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol

(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 70210957) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol
PubChem CID70210957
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol
SMILESOCc1ccc(-c2ccc(C[C@@H]3C[C@@H](O)CN3)cc2)cc1
InChIInChI=1S/C18H21NO2/c20-12-14-3-7-16(8-4-14)15-5-1-13(2-6-15)9-17-10-18(21)11-19-17/h1-8,17-21H,9-12H2/t17-,18-/m1/s1
InChIKeySCTYHTAKGBCETJ-QZTJIDSGSA-N
XLogP2.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol (CID 70210957) is (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol is OCc1ccc(-c2ccc(C[C@@H]3C[C@@H](O)CN3)cc2)cc1.
What is the InChIKey of (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is SCTYHTAKGBCETJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21NO2/c20-12-14-3-7-16(8-4-14)15-5-1-13(2-6-15)9-17-10-18(21)11-19-17/h1-8,17-21H,9-12H2/t17-,18-/m1/s1.
What are the key properties of (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol?
(3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 283.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70210957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).