4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol

C21H18Cl2O5 — CID 15095946

IUPAC4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
SMILESCc1cc(Cc2cc(Cl)c(O)cc2O)c(O)c(Cc2cc(Cl)c(O)cc2O)c1
InChIInChI=1S/C21H18Cl2O5/c1-10-2-13(4-11-6-15(22)19(26)8-17(11)24)21(28)14(3-10)5-12-7-16(23)20(27)9-18(12)25/h2-3,6-9,24-28H,4-5H2,1H3
InChIKeyBIBHOITZWJJIFR-UHFFFAOYSA-N
MW421.28 g/mol
LogP5.01
Rot. Bonds4

About 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol

4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol (PubChem CID 15095946) has the molecular formula C21H18Cl2O5 and a molecular weight of 421.28 g/mol. Its IUPAC name is 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
PubChem CID15095946
Molecular FormulaC21H18Cl2O5
Molecular Weight421.28 g/mol
Exact Mass420.05
IUPAC Name4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
SMILESCc1cc(Cc2cc(Cl)c(O)cc2O)c(O)c(Cc2cc(Cl)c(O)cc2O)c1
InChIInChI=1S/C21H18Cl2O5/c1-10-2-13(4-11-6-15(22)19(26)8-17(11)24)21(28)14(3-10)5-12-7-16(23)20(27)9-18(12)25/h2-3,6-9,24-28H,4-5H2,1H3
InChIKeyBIBHOITZWJJIFR-UHFFFAOYSA-N
XLogP5.01
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.28
LogP ≤ 55.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol with MolForge

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Related Compounds

2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol
CID 138718814
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
CID 14899408
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol?
The IUPAC name of 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol (CID 15095946) is 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol?
The canonical SMILES for 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol is Cc1cc(Cc2cc(Cl)c(O)cc2O)c(O)c(Cc2cc(Cl)c(O)cc2O)c1.
What is the InChIKey of 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol?
The InChIKey is BIBHOITZWJJIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2O5/c1-10-2-13(4-11-6-15(22)19(26)8-17(11)24)21(28)14(3-10)5-12-7-16(23)20(27)9-18(12)25/h2-3,6-9,24-28H,4-5H2,1H3.
What are the key properties of 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol?
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol has a molecular weight of 421.28 g/mol, XLogP of 5.01, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol is sourced from PubChem (CID 15095946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).