1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol

C18H23NO — CID 57186650

IUPAC1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol
SMILESOC1(CC2(Cc3ccccc3)C=CC=N2)CCCCC1
InChIInChI=1S/C18H23NO/c20-18(11-5-2-6-12-18)15-17(10-7-13-19-17)14-16-8-3-1-4-9-16/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2
InChIKeyUXOWOLQBKRLNPA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds4

About 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol

1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol (PubChem CID 57186650) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol
PubChem CID57186650
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol
SMILESOC1(CC2(Cc3ccccc3)C=CC=N2)CCCCC1
InChIInChI=1S/C18H23NO/c20-18(11-5-2-6-12-18)15-17(10-7-13-19-17)14-16-8-3-1-4-9-16/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2
InChIKeyUXOWOLQBKRLNPA-UHFFFAOYSA-N
XLogP3.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroxy benzylidenecyclohexylamine
CID 68565546
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
2-[(2-Benzylpyrrol-2-yl)methyl]-3,3,3-trifluoropropane-1,2-diol
CID 91481850
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075
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
4-[4-[(2-Pentylpyrrol-2-yl)methyl]phenyl]cyclohexan-1-ol
CID 57158642
1-(2-Benzylpyrrol-2-yl)cyclohexan-1-ol
CID 90936444

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol (CID 57186650) is 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol is OC1(CC2(Cc3ccccc3)C=CC=N2)CCCCC1.
What is the InChIKey of 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is UXOWOLQBKRLNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(11-5-2-6-12-18)15-17(10-7-13-19-17)14-16-8-3-1-4-9-16/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2.
What are the key properties of 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol?
1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzylpyrrol-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 57186650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).