4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol

C22H31NO — CID 57158642

IUPAC4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol
SMILESCCCCCC1(Cc2ccc(C3CCC(O)CC3)cc2)C=CC=N1
InChIInChI=1S/C22H31NO/c1-2-3-4-14-22(15-5-16-23-22)17-18-6-8-19(9-7-18)20-10-12-21(24)13-11-20/h5-9,15-16,20-21,24H,2-4,10-14,17H2,1H3
InChIKeyRKTYHJRXMHMAND-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.21
Rot. Bonds7

About 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol

4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol (PubChem CID 57158642) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol
PubChem CID57158642
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol
SMILESCCCCCC1(Cc2ccc(C3CCC(O)CC3)cc2)C=CC=N1
InChIInChI=1S/C22H31NO/c1-2-3-4-14-22(15-5-16-23-22)17-18-6-8-19(9-7-18)20-10-12-21(24)13-11-20/h5-9,15-16,20-21,24H,2-4,10-14,17H2,1H3
InChIKeyRKTYHJRXMHMAND-UHFFFAOYSA-N
XLogP5.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-Phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
CID 57262496
1-(2-Tritylimidazol-2-yl)propan-2-ol
CID 22563688
4-[4-[5-(2,4,5-trimethylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]cyclohexan-1-ol
CID 53643125
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075
1-[2-Hydroxy-5-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexyl]ethanone
CID 57021082
1-[2-(1-Phenylethyl)pyrrol-2-yl]cyclopentan-1-ol
CID 57031362
2-[2-(2-Methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
CID 57069278
2-(2-Benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
CID 57111108
2-(2-Methylpyrrol-2-yl)-3-phenylpropan-1-ol
CID 57112217
1-[(2-Benzylpyrrol-2-yl)methyl]cyclohexan-1-ol
CID 57186650
(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol
CID 67700682

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol (CID 57158642) is 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol is CCCCCC1(Cc2ccc(C3CCC(O)CC3)cc2)C=CC=N1.
What is the InChIKey of 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol?
The InChIKey is RKTYHJRXMHMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-2-3-4-14-22(15-5-16-23-22)17-18-6-8-19(9-7-18)20-10-12-21(24)13-11-20/h5-9,15-16,20-21,24H,2-4,10-14,17H2,1H3.
What are the key properties of 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol?
4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol has a molecular weight of 325.50 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 57158642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).