2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol

C18H23NO — CID 57111108

IUPAC2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
SMILESCC1CCCC(C2(Cc3ccccc3)C=CC=N2)C1O
InChIInChI=1S/C18H23NO/c1-14-7-5-10-16(17(14)20)18(11-6-12-19-18)13-15-8-3-2-4-9-15/h2-4,6,8-9,11-12,14,16-17,20H,5,7,10,13H2,1H3
InChIKeyAMDJYUKKCJWFGT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol

2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol (PubChem CID 57111108) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
PubChem CID57111108
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol
SMILESCC1CCCC(C2(Cc3ccccc3)C=CC=N2)C1O
InChIInChI=1S/C18H23NO/c1-14-7-5-10-16(17(14)20)18(11-6-12-19-18)13-15-8-3-2-4-9-15/h2-4,6,8-9,11-12,14,16-17,20H,5,7,10,13H2,1H3
InChIKeyAMDJYUKKCJWFGT-UHFFFAOYSA-N
XLogP3.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-Fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
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CID 57262496
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
1-(2-Tritylimidazol-2-yl)propan-2-ol
CID 22563688
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-Methylpyrrol-2-yl)-3-phenylpropan-1-ol
CID 57112217

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol?
The IUPAC name of 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol (CID 57111108) is 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol?
The canonical SMILES for 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol is CC1CCCC(C2(Cc3ccccc3)C=CC=N2)C1O.
What is the InChIKey of 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol?
The InChIKey is AMDJYUKKCJWFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-7-5-10-16(17(14)20)18(11-6-12-19-18)13-15-8-3-2-4-9-15/h2-4,6,8-9,11-12,14,16-17,20H,5,7,10,13H2,1H3.
What are the key properties of 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol?
2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrol-2-yl)-6-methylcyclohexan-1-ol is sourced from PubChem (CID 57111108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).