5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol

C15H16O3 — CID 101299506

IUPAC5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol
SMILESCc1cc(C)cc(-c2cc(O)c(O)c(O)c2C)c1
InChIInChI=1S/C15H16O3/c1-8-4-9(2)6-11(5-8)12-7-13(16)15(18)14(17)10(12)3/h4-7,16-18H,1-3H3
InChIKeyMJPQOHQZVSVVDZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol

5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol (PubChem CID 101299506) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol
PubChem CID101299506
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol
SMILESCc1cc(C)cc(-c2cc(O)c(O)c(O)c2C)c1
InChIInChI=1S/C15H16O3/c1-8-4-9(2)6-11(5-8)12-7-13(16)15(18)14(17)10(12)3/h4-7,16-18H,1-3H3
InChIKeyMJPQOHQZVSVVDZ-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol?
The IUPAC name of 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol (CID 101299506) is 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol?
The canonical SMILES for 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol is Cc1cc(C)cc(-c2cc(O)c(O)c(O)c2C)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol?
The InChIKey is MJPQOHQZVSVVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-9(2)6-11(5-8)12-7-13(16)15(18)14(17)10(12)3/h4-7,16-18H,1-3H3.
What are the key properties of 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol?
5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol 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 5-(3,5-dimethylphenyl)-4-methylbenzene-1,2,3-triol is sourced from PubChem (CID 101299506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).