2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol

C18H19NO2 — CID 89146211

IUPAC2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol
SMILESC=C1C[C@H](c2ccc(OC)c(O)c2)CN1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13-10-15(12-19(13)16-6-4-3-5-7-16)14-8-9-18(21-2)17(20)11-14/h3-9,11,15,20H,1,10,12H2,2H3/t15-/m0/s1
InChIKeyANGRZNQFQULCKV-HNNXBMFYSA-N
MW281.36 g/mol
LogP3.91
Rot. Bonds3

About 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol

2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol (PubChem CID 89146211) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol
PubChem CID89146211
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol
SMILESC=C1C[C@H](c2ccc(OC)c(O)c2)CN1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-13-10-15(12-19(13)16-6-4-3-5-7-16)14-8-9-18(21-2)17(20)11-14/h3-9,11,15,20H,1,10,12H2,2H3/t15-/m0/s1
InChIKeyANGRZNQFQULCKV-HNNXBMFYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol (CID 89146211) is 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol is C=C1C[C@H](c2ccc(OC)c(O)c2)CN1c1ccccc1.
What is the InChIKey of 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol?
The InChIKey is ANGRZNQFQULCKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-10-15(12-19(13)16-6-4-3-5-7-16)14-8-9-18(21-2)17(20)11-14/h3-9,11,15,20H,1,10,12H2,2H3/t15-/m0/s1.
What are the key properties of 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol?
2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol is sourced from PubChem (CID 89146211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).