1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol

C17H21NO — CID 90936444

IUPAC1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol
SMILESOC1(C2(Cc3ccccc3)C=CC=N2)CCCCC1
InChIInChI=1S/C17H21NO/c19-17(11-5-2-6-12-17)16(10-7-13-18-16)14-15-8-3-1-4-9-15/h1,3-4,7-10,13,19H,2,5-6,11-12,14H2
InChIKeyQURMDAKXNVAPIW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol

1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol (PubChem CID 90936444) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol
PubChem CID90936444
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol
SMILESOC1(C2(Cc3ccccc3)C=CC=N2)CCCCC1
InChIInChI=1S/C17H21NO/c19-17(11-5-2-6-12-17)16(10-7-13-18-16)14-15-8-3-1-4-9-15/h1,3-4,7-10,13,19H,2,5-6,11-12,14H2
InChIKeyQURMDAKXNVAPIW-UHFFFAOYSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol
CID 134965207
1-(Benzylideneamino)-2-phenylpropan-2-ol
CID 53829248
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)methyl]cyclohexan-1-ol
CID 57186650
2,3-Dihydropyridin-4-yl(diphenyl)methanol
CID 67786567

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol (CID 90936444) is 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol is OC1(C2(Cc3ccccc3)C=CC=N2)CCCCC1.
What is the InChIKey of 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol?
The InChIKey is QURMDAKXNVAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(11-5-2-6-12-17)16(10-7-13-18-16)14-15-8-3-1-4-9-15/h1,3-4,7-10,13,19H,2,5-6,11-12,14H2.
What are the key properties of 1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol?
1-(2-benzylpyrrol-2-yl)cyclohexan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.30, 3 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)cyclohexan-1-ol is sourced from PubChem (CID 90936444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).