4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol

C15H16O3 — CID 101299618

IUPAC4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol
SMILESCc1cc(O)c(C)c(C)c1-c1ccc(O)cc1O
InChIInChI=1S/C15H16O3/c1-8-6-13(17)9(2)10(3)15(8)12-5-4-11(16)7-14(12)18/h4-7,16-18H,1-3H3
InChIKeyRAWAEVAACMIXTB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol

4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol (PubChem CID 101299618) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol
PubChem CID101299618
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol
SMILESCc1cc(O)c(C)c(C)c1-c1ccc(O)cc1O
InChIInChI=1S/C15H16O3/c1-8-6-13(17)9(2)10(3)15(8)12-5-4-11(16)7-14(12)18/h4-7,16-18H,1-3H3
InChIKeyRAWAEVAACMIXTB-UHFFFAOYSA-N
XLogP3.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol?
The IUPAC name of 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol (CID 101299618) is 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol?
The canonical SMILES for 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol is Cc1cc(O)c(C)c(C)c1-c1ccc(O)cc1O.
What is the InChIKey of 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol?
The InChIKey is RAWAEVAACMIXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-6-13(17)9(2)10(3)15(8)12-5-4-11(16)7-14(12)18/h4-7,16-18H,1-3H3.
What are the key properties of 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol?
4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,3,6-trimethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101299618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).