4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol

C23H24O5 — CID 139659266

IUPAC4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
SMILESCCc1cc(C(c2ccc(O)cc2)c2cc(CC)c(O)cc2O)c(O)cc1O
InChIInChI=1S/C23H24O5/c1-3-13-9-17(21(27)11-19(13)25)23(15-5-7-16(24)8-6-15)18-10-14(4-2)20(26)12-22(18)28/h5-12,23-28H,3-4H2,1-2H3
InChIKeyXSJAUGAOCUTFGK-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.52
Rot. Bonds5

About 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol

4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol (PubChem CID 139659266) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
PubChem CID139659266
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
SMILESCCc1cc(C(c2ccc(O)cc2)c2cc(CC)c(O)cc2O)c(O)cc1O
InChIInChI=1S/C23H24O5/c1-3-13-9-17(21(27)11-19(13)25)23(15-5-7-16(24)8-6-15)18-10-14(4-2)20(26)12-22(18)28/h5-12,23-28H,3-4H2,1-2H3
InChIKeyXSJAUGAOCUTFGK-UHFFFAOYSA-N
XLogP4.52
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
CID 84774316
3-amino-3-(5-ethyl-2,4-dihydroxyphenyl)propanoic acid
CID 84790025
4-bromo-6-[(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 57396772
2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87187255
4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
CID 71345290
4-ethylbenzene-1,3-diol
CID 17927
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
4-[1-[2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]butyl]-6-[(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139708055
2-ethyl-5-propan-2-ylphenol
CID 45096246
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
CID 84765393
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
4-[(5-hydroxy-2-methylphenyl)-(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 155000449

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol (CID 139659266) is 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol is CCc1cc(C(c2ccc(O)cc2)c2cc(CC)c(O)cc2O)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol?
The InChIKey is XSJAUGAOCUTFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5/c1-3-13-9-17(21(27)11-19(13)25)23(15-5-7-16(24)8-6-15)18-10-14(4-2)20(26)12-22(18)28/h5-12,23-28H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol?
4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol has a molecular weight of 380.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 139659266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).