1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol

C17H21NO — CID 3849059

IUPAC1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(C(c2ccccc2)n2cccc2)CCCCC1
InChIInChI=1S/C17H21NO/c19-17(11-5-2-6-12-17)16(18-13-7-8-14-18)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2
InChIKeyLCGXMIPDXMSZJS-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds3

About 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol

1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 3849059) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol
PubChem CID3849059
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(C(c2ccccc2)n2cccc2)CCCCC1
InChIInChI=1S/C17H21NO/c19-17(11-5-2-6-12-17)16(18-13-7-8-14-18)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2
InChIKeyLCGXMIPDXMSZJS-UHFFFAOYSA-N
XLogP3.77
TPSA25.16 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol (CID 3849059) is 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol is OC1(C(c2ccccc2)n2cccc2)CCCCC1.
What is the InChIKey of 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is LCGXMIPDXMSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(11-5-2-6-12-17)16(18-13-7-8-14-18)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2.
What are the key properties of 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol?
1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 3849059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).