(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone

C24H14Cl6N2O6 — CID 46863047

IUPAC(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone
SMILESCOc1cc(O)c(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3cc(Cl)c(OC)cc3O)cc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C24H14Cl6N2O6/c1-37-16-6-14(33)8(3-10(16)25)21(35)13-5-12(27)24(30)32(13)20-18(28)23(29)31-19(20)22(36)9-4-11(26)17(38-2)7-15(9)34/h3-7,31,33-34H,1-2H3
InChIKeyTZBVMZSLZYIPEX-UHFFFAOYSA-N
MW639.10 g/mol
LogP7.62
Rot. Bonds7

About (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone

(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone (PubChem CID 46863047) has the molecular formula C24H14Cl6N2O6 and a molecular weight of 639.10 g/mol. Its IUPAC name is (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone
PubChem CID46863047
Molecular FormulaC24H14Cl6N2O6
Molecular Weight639.10 g/mol
Exact Mass635.90
IUPAC Name(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone
SMILESCOc1cc(O)c(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3cc(Cl)c(OC)cc3O)cc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C24H14Cl6N2O6/c1-37-16-6-14(33)8(3-10(16)25)21(35)13-5-12(27)24(30)32(13)20-18(28)23(29)31-19(20)22(36)9-4-11(26)17(38-2)7-15(9)34/h3-7,31,33-34H,1-2H3
InChIKeyTZBVMZSLZYIPEX-UHFFFAOYSA-N
XLogP7.62
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.10
LogP ≤ 57.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone with MolForge

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Related Compounds

(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
CID 162345540
[4-[(Z)-1-amino-2-(octylamino)ethenyl]-2-hydroxyphenyl]-[4,5-dichloro-1-[4,5-dichloro-2-[4-[(Z)-1-hydrazinyl-2-(octylamino)ethenyl]-2-hydroxybenzoyl]-1H-pyrrol-3-yl]pyrrol-2-yl]methanone
CID 126614704
(5-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 162345424
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
4-chloro-5-methoxy-2-methylphenol
CID 21341377
methyl 4-(5-chloro-2-hydroxy-4-methoxyphenyl)-4-hydroxyiminobutanoate
CID 137123653
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117333135
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone?
The IUPAC name of (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone (CID 46863047) is (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone?
The canonical SMILES for (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone is COc1cc(O)c(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3cc(Cl)c(OC)cc3O)cc(Cl)c2Cl)cc1Cl.
What is the InChIKey of (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone?
The InChIKey is TZBVMZSLZYIPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl6N2O6/c1-37-16-6-14(33)8(3-10(16)25)21(35)13-5-12(27)24(30)32(13)20-18(28)23(29)31-19(20)22(36)9-4-11(26)17(38-2)7-15(9)34/h3-7,31,33-34H,1-2H3.
What are the key properties of (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone?
(5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone has a molecular weight of 639.10 g/mol, XLogP of 7.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxy-4-methoxyphenyl)-[4,5-dichloro-1-[4,5-dichloro-2-(5-chloro-2-hydroxy-4-methoxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]methanone is sourced from PubChem (CID 46863047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).