7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C22H23NO2 — CID 57141317

IUPAC7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC(C1(CC(O)c3ccccc3)C=CC=N1)CC2
InChIInChI=1S/C22H23NO2/c24-20-10-8-16-7-9-19(13-18(16)14-20)22(11-4-12-23-22)15-21(25)17-5-2-1-3-6-17/h1-6,8,10-12,14,19,21,24-25H,7,9,13,15H2
InChIKeyWMVIBZREMONFQK-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.00
Rot. Bonds4

About 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 57141317) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID57141317
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC(C1(CC(O)c3ccccc3)C=CC=N1)CC2
InChIInChI=1S/C22H23NO2/c24-20-10-8-16-7-9-19(13-18(16)14-20)22(11-4-12-23-22)15-21(25)17-5-2-1-3-6-17/h1-6,8,10-12,14,19,21,24-25H,7,9,13,15H2
InChIKeyWMVIBZREMONFQK-UHFFFAOYSA-N
XLogP4.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 57141317) is 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CC(C1(CC(O)c3ccccc3)C=CC=N1)CC2.
What is the InChIKey of 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WMVIBZREMONFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-20-10-8-16-7-9-19(13-18(16)14-20)22(11-4-12-23-22)15-21(25)17-5-2-1-3-6-17/h1-6,8,10-12,14,19,21,24-25H,7,9,13,15H2.
What are the key properties of 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 333.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 57141317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).