3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole

C20H23N — CID 90702914

IUPAC3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole
SMILESCC(C)(C)c1ccc(-c2ccccc2C2=CCNC2)cc1
InChIInChI=1S/C20H23N/c1-20(2,3)17-10-8-15(9-11-17)18-6-4-5-7-19(18)16-12-13-21-14-16/h4-12,21H,13-14H2,1-3H3
InChIKeyHKUSWOXBDFWYIO-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.64
Rot. Bonds2

About 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole

3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole (PubChem CID 90702914) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole
PubChem CID90702914
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole
SMILESCC(C)(C)c1ccc(-c2ccccc2C2=CCNC2)cc1
InChIInChI=1S/C20H23N/c1-20(2,3)17-10-8-15(9-11-17)18-6-4-5-7-19(18)16-12-13-21-14-16/h4-12,21H,13-14H2,1-3H3
InChIKeyHKUSWOXBDFWYIO-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dihydro-1H-pyrrol-3-yl)phenol
CID 105431636
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033
2-(4-tert-butylphenyl)benzenethiol
CID 22566543
[2-(4-tert-butylphenyl)phenyl]phosphane
CID 58067255
(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
CID 143821603
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
1-tert-butyl-4-[2-(chloromethyl)phenyl]benzene
CID 141176156
2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
CID 135067467
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
1-(4-tert-butylphenyl)phenanthrene
CID 160779403

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole (CID 90702914) is 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole is CC(C)(C)c1ccc(-c2ccccc2C2=CCNC2)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole?
The InChIKey is HKUSWOXBDFWYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-20(2,3)17-10-8-15(9-11-17)18-6-4-5-7-19(18)16-12-13-21-14-16/h4-12,21H,13-14H2,1-3H3.
What are the key properties of 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole?
3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole has a molecular weight of 277.41 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)phenyl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 90702914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).