[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol

C17H13ClFNO — CID 10733088

IUPAC[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1c[nH]cc1-c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO/c18-16-4-2-1-3-13(16)14-9-20-10-15(14)17(21)11-5-7-12(19)8-6-11/h1-10,17,20-21H
InChIKeyZXOOBGGAQABBHY-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.56
Rot. Bonds3

About [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol

[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol (PubChem CID 10733088) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
PubChem CID10733088
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1c[nH]cc1-c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO/c18-16-4-2-1-3-13(16)14-9-20-10-15(14)17(21)11-5-7-12(19)8-6-11/h1-10,17,20-21H
InChIKeyZXOOBGGAQABBHY-UHFFFAOYSA-N
XLogP4.56
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
CID 129384462
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol
CID 3773894
3-(2-chlorophenyl)-4-methyl-1H-pyrrole
CID 142279790
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
CID 114980455
3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 138490054
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol (CID 10733088) is [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1c[nH]cc1-c1ccccc1Cl.
What is the InChIKey of [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
The InChIKey is ZXOOBGGAQABBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-16-4-2-1-3-13(16)14-9-20-10-15(14)17(21)11-5-7-12(19)8-6-11/h1-10,17,20-21H.
What are the key properties of [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol has a molecular weight of 301.75 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 10733088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).