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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Related Compounds

1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol
CID 129084956
1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol
CID 3718720
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
furan-3-yl-(1-phenylcyclohexyl)methanol
CID 63948757
1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol
CID 15445550
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
9-[(R)-phenyl(piperidin-1-yl)methyl]fluoren-9-ol
CID 15535872
(3R)-3-[(R)-hydroxy(phenyl)methyl]thian-3-ol
CID 102002214
2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
CID 68855874
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
1-[(S)-phenyl(quinolin-2-ylsulfanyl)methyl]cyclohexan-1-ol
CID 10871799

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).