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

C18H13Cl4NO — CID 11452367

IUPAC(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol
SMILESCn1cc(-c2ccc(Cl)cc2Cl)c(C(O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H13Cl4NO/c1-23-8-14(12-4-2-10(19)6-16(12)21)15(9-23)18(24)13-5-3-11(20)7-17(13)22/h2-9,18,24H,1H3
InChIKeyNPYCQZXRKPKXQM-UHFFFAOYSA-N
MW401.12 g/mol
LogP6.39
Rot. Bonds3

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

(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol (PubChem CID 11452367) has the molecular formula C18H13Cl4NO and a molecular weight of 401.12 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol
PubChem CID11452367
Molecular FormulaC18H13Cl4NO
Molecular Weight401.12 g/mol
Exact Mass398.98
IUPAC Name(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol
SMILESCn1cc(-c2ccc(Cl)cc2Cl)c(C(O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H13Cl4NO/c1-23-8-14(12-4-2-10(19)6-16(12)21)15(9-23)18(24)13-5-3-11(20)7-17(13)22/h2-9,18,24H,1H3
InChIKeyNPYCQZXRKPKXQM-UHFFFAOYSA-N
XLogP6.39
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 129383198
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
CID 57098054
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
CID 166243334
(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methanol
CID 10572263
2,4-dichloro-1-(2-propan-2-ylphenyl)benzene
CID 54387029
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol?
The IUPAC name of (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol (CID 11452367) is (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol is Cn1cc(-c2ccc(Cl)cc2Cl)c(C(O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol?
The InChIKey is NPYCQZXRKPKXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl4NO/c1-23-8-14(12-4-2-10(19)6-16(12)21)15(9-23)18(24)13-5-3-11(20)7-17(13)22/h2-9,18,24H,1H3.
What are the key properties of (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol?
(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol has a molecular weight of 401.12 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrol-3-yl]methanol is sourced from PubChem (CID 11452367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).