[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol

C20H20ClNO — CID 100793458

IUPAC[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol
SMILESOCc1ccc(CCc2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO/c21-18-9-6-17(7-10-18)14-22-19(12-13-20(22)15-23)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,23H,8,11,14-15H2
InChIKeySZWFKKPCONBOFB-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.47
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol

[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol (PubChem CID 100793458) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol
PubChem CID100793458
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol
SMILESOCc1ccc(CCc2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO/c21-18-9-6-17(7-10-18)14-22-19(12-13-20(22)15-23)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,23H,8,11,14-15H2
InChIKeySZWFKKPCONBOFB-UHFFFAOYSA-N
XLogP4.47
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}

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Related Compounds

[5-benzyl-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methanol
CID 100793325
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
1-benzyl-5-(2-phenylethyl)pyrrole-2-carbaldehyde
CID 100793435
[3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol
CID 34365673
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1,2,5-tribenzylpyrrole
CID 15072584
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
CID 22576278
[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
CID 67751239
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 2779712

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol (CID 100793458) is [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol is OCc1ccc(CCc2ccccc2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol?
The InChIKey is SZWFKKPCONBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-18-9-6-17(7-10-18)14-22-19(12-13-20(22)15-23)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,23H,8,11,14-15H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol?
[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol has a molecular weight of 325.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 100793458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).