4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol

C19H16O4 — CID 137451666

IUPAC4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol
SMILESCc1cc(-c2ccc(O)cc2O)cc(-c2ccc(O)cc2O)c1
InChIInChI=1S/C19H16O4/c1-11-6-12(16-4-2-14(20)9-18(16)22)8-13(7-11)17-5-3-15(21)10-19(17)23/h2-10,20-23H,1H3
InChIKeyWQBQCHHVQFHRMT-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.15
Rot. Bonds2

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

4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol (PubChem CID 137451666) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol
PubChem CID137451666
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol
SMILESCc1cc(-c2ccc(O)cc2O)cc(-c2ccc(O)cc2O)c1
InChIInChI=1S/C19H16O4/c1-11-6-12(16-4-2-14(20)9-18(16)22)8-13(7-11)17-5-3-15(21)10-19(17)23/h2-10,20-23H,1H3
InChIKeyWQBQCHHVQFHRMT-UHFFFAOYSA-N
XLogP4.15
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
CID 101299746
4-[3-(2,4-dihydroxyphenyl)phenyl]benzene-1,3-diol
CID 153306376
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
4-(4-tert-butylphenyl)benzene-1,3-diol
CID 57237092
2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
5-amino-2-(3-bromo-5-methylphenyl)phenol
CID 12067768
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
2-[2-(3,5-dimethylphenyl)-4-methylphenyl]phenol
CID 174881906
4-cyclopentyl-3-(3,5-dimethylphenyl)phenol
CID 67187515
3-(3,5-dimethylphenyl)-4-(3-hydroxypropyl)phenol
CID 141048051

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol?
The IUPAC name of 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol (CID 137451666) is 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol is Cc1cc(-c2ccc(O)cc2O)cc(-c2ccc(O)cc2O)c1.
What is the InChIKey of 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol?
The InChIKey is WQBQCHHVQFHRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-11-6-12(16-4-2-14(20)9-18(16)22)8-13(7-11)17-5-3-15(21)10-19(17)23/h2-10,20-23H,1H3.
What are the key properties of 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol?
4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol has a molecular weight of 308.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dihydroxyphenyl)-5-methylphenyl]benzene-1,3-diol is sourced from PubChem (CID 137451666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).