4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol

C27H27NO — CID 22387515

IUPAC4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol
SMILESCc1ccc(CCc2ccccc2-c2ccccc2)n1CCc1ccc(O)cc1
InChIInChI=1S/C27H27NO/c1-21-11-15-25(28(21)20-19-22-12-17-26(29)18-13-22)16-14-24-9-5-6-10-27(24)23-7-3-2-4-8-23/h2-13,15,17-18,29H,14,16,19-20H2,1H3
InChIKeyMONNPXYVNWFMPD-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.20
Rot. Bonds7

About 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol

4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol (PubChem CID 22387515) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol
PubChem CID22387515
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol
SMILESCc1ccc(CCc2ccccc2-c2ccccc2)n1CCc1ccc(O)cc1
InChIInChI=1S/C27H27NO/c1-21-11-15-25(28(21)20-19-22-12-17-26(29)18-13-22)16-14-24-9-5-6-10-27(24)23-7-3-2-4-8-23/h2-13,15,17-18,29H,14,16,19-20H2,1H3
InChIKeyMONNPXYVNWFMPD-UHFFFAOYSA-N
XLogP6.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol (CID 22387515) is 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol is Cc1ccc(CCc2ccccc2-c2ccccc2)n1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol?
The InChIKey is MONNPXYVNWFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-21-11-15-25(28(21)20-19-22-12-17-26(29)18-13-22)16-14-24-9-5-6-10-27(24)23-7-3-2-4-8-23/h2-13,15,17-18,29H,14,16,19-20H2,1H3.
What are the key properties of 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol?
4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol has a molecular weight of 381.52 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol is sourced from PubChem (CID 22387515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).