(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol

C17H11Cl4NO — CID 10572263

IUPAC(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl4NO/c18-10-2-3-11(15(20)6-10)17(23)13-8-22-7-12(13)9-1-4-14(19)16(21)5-9/h1-8,17,22-23H
InChIKeyOJFVEBGIMFVJSM-UHFFFAOYSA-N
MW387.09 g/mol
LogP6.38
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol

(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol (PubChem CID 10572263) has the molecular formula C17H11Cl4NO and a molecular weight of 387.09 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol
PubChem CID10572263
Molecular FormulaC17H11Cl4NO
Molecular Weight387.09 g/mol
Exact Mass384.96
IUPAC Name(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl4NO/c18-10-2-3-11(15(20)6-10)17(23)13-8-22-7-12(13)9-1-4-14(19)16(21)5-9/h1-8,17,22-23H
InChIKeyOJFVEBGIMFVJSM-UHFFFAOYSA-N
XLogP6.38
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol (CID 10572263) is (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol is OC(c1ccc(Cl)cc1Cl)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol?
The InChIKey is OJFVEBGIMFVJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl4NO/c18-10-2-3-11(15(20)6-10)17(23)13-8-22-7-12(13)9-1-4-14(19)16(21)5-9/h1-8,17,22-23H.
What are the key properties of (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol?
(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 387.09 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 10572263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).