4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol

C16H18O4 — CID 154709162

IUPAC4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol
SMILESCc1c(O)cc(O)c(-c2c(O)cc(O)c(C)c2C)c1C
InChIInChI=1S/C16H18O4/c1-7-9(3)15(13(19)5-11(7)17)16-10(4)8(2)12(18)6-14(16)20/h5-6,17-20H,1-4H3
InChIKeySPBTZFWVVVQWIG-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.41
Rot. Bonds1

About 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol

4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol (PubChem CID 154709162) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol
PubChem CID154709162
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol
SMILESCc1c(O)cc(O)c(-c2c(O)cc(O)c(C)c2C)c1C
InChIInChI=1S/C16H18O4/c1-7-9(3)15(13(19)5-11(7)17)16-10(4)8(2)12(18)6-14(16)20/h5-6,17-20H,1-4H3
InChIKeySPBTZFWVVVQWIG-UHFFFAOYSA-N
XLogP3.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol?
The IUPAC name of 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol (CID 154709162) is 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol.
What is the SMILES notation for 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol?
The canonical SMILES for 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol is Cc1c(O)cc(O)c(-c2c(O)cc(O)c(C)c2C)c1C.
What is the InChIKey of 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol?
The InChIKey is SPBTZFWVVVQWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-7-9(3)15(13(19)5-11(7)17)16-10(4)8(2)12(18)6-14(16)20/h5-6,17-20H,1-4H3.
What are the key properties of 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol?
4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol has a molecular weight of 274.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dihydroxy-2,3-dimethylphenyl)-5,6-dimethylbenzene-1,3-diol is sourced from PubChem (CID 154709162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).