4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol

C23H20Cl4O3 — CID 131971930

IUPAC4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol
SMILESCCc1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)cc(CCl)c3O)c2O)c1O
InChIInChI=1S/C23H20Cl4O3/c1-2-12-5-18(25)6-13(21(12)28)3-14-7-19(26)8-15(22(14)29)4-16-9-20(27)10-17(11-24)23(16)30/h5-10,28-30H,2-4,11H2,1H3
InChIKeyOIOVWYRSMUSKHN-UHFFFAOYSA-N
MW486.22 g/mol
LogP7.25
Rot. Bonds6

About 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol

4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol (PubChem CID 131971930) has the molecular formula C23H20Cl4O3 and a molecular weight of 486.22 g/mol. Its IUPAC name is 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol.

Molecular Properties

Compound Name4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol
PubChem CID131971930
Molecular FormulaC23H20Cl4O3
Molecular Weight486.22 g/mol
Exact Mass484.02
IUPAC Name4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol
SMILESCCc1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)cc(CCl)c3O)c2O)c1O
InChIInChI=1S/C23H20Cl4O3/c1-2-12-5-18(25)6-13(21(12)28)3-14-7-19(26)8-15(22(14)29)4-16-9-20(27)10-17(11-24)23(16)30/h5-10,28-30H,2-4,11H2,1H3
InChIKeyOIOVWYRSMUSKHN-UHFFFAOYSA-N
XLogP7.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.22
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 22999667
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208
2-bromo-6-[[3-[(3-bromo-5-fluoro-2-hydroxyphenyl)methyl]-5-chloro-2-hydroxyphenyl]methyl]-4-fluorophenol
CID 13064199
4-chloro-2,6-diethylaniline
CID 14348967
[5-chloro-3-[(5-chloro-2-hydroxy-3-sulfinatooxyphenyl)methyl]-2-hydroxyphenyl] sulfite
CID 57153135
2,6-bis(2-aminobutyl)-4-chlorophenol
CID 170888954
2,6-bis[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-nitrophenol
CID 13064203
2-ethyl-6-[[2-hydroxy-5-methanidyl-3-(propoxymethyl)phenyl]methyl]-4-methanidylphenol;bis(yttrium)
CID 59663900
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
1,2,5-trichloro-3-ethylbenzene
CID 70861390
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol?
The IUPAC name of 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol (CID 131971930) is 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol.
What is the SMILES notation for 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol?
The canonical SMILES for 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol is CCc1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)cc(CCl)c3O)c2O)c1O.
What is the InChIKey of 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol?
The InChIKey is OIOVWYRSMUSKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl4O3/c1-2-12-5-18(25)6-13(21(12)28)3-14-7-19(26)8-15(22(14)29)4-16-9-20(27)10-17(11-24)23(16)30/h5-10,28-30H,2-4,11H2,1H3.
What are the key properties of 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol?
4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol has a molecular weight of 486.22 g/mol, XLogP of 7.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-chloro-3-[[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]methyl]-2-hydroxyphenyl]methyl]-6-ethylphenol is sourced from PubChem (CID 131971930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).