4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol

C15H16O4 — CID 22925792

IUPAC4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cc1cc(O)c(O)cc1C
InChIInChI=1S/C15H16O4/c1-8-3-12(16)14(18)6-10(8)5-11-7-15(19)13(17)4-9(11)2/h3-4,6-7,16-19H,5H2,1-2H3
InChIKeyVRFDENWECAAFOF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.72
Rot. Bonds2

About 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol

4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol (PubChem CID 22925792) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
PubChem CID22925792
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cc1cc(O)c(O)cc1C
InChIInChI=1S/C15H16O4/c1-8-3-12(16)14(18)6-10(8)5-11-7-15(19)13(17)4-9(11)2/h3-4,6-7,16-19H,5H2,1-2H3
InChIKeyVRFDENWECAAFOF-UHFFFAOYSA-N
XLogP2.72
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925896
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
4-[(4-hydroxy-2,5-dimethylphenyl)methyl]benzene-1,2,3-triol
CID 18366423
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
4-(2-ethylbutyl)-5-methylbenzene-1,2-diol
CID 91183169
4-(diethylaminomethyl)-5-methylbenzene-1,2-diol
CID 23591531
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol?
The IUPAC name of 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol (CID 22925792) is 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol.
What is the SMILES notation for 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol?
The canonical SMILES for 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol is Cc1cc(O)c(O)cc1Cc1cc(O)c(O)cc1C.
What is the InChIKey of 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol?
The InChIKey is VRFDENWECAAFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-8-3-12(16)14(18)6-10(8)5-11-7-15(19)13(17)4-9(11)2/h3-4,6-7,16-19H,5H2,1-2H3.
What are the key properties of 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol?
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol has a molecular weight of 260.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol is sourced from PubChem (CID 22925792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).