4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol

C15H16O3 — CID 101299553

IUPAC4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
SMILESCc1cc(-c2ccc(O)c(O)c2O)cc(C)c1C
InChIInChI=1S/C15H16O3/c1-8-6-11(7-9(2)10(8)3)12-4-5-13(16)15(18)14(12)17/h4-7,16-18H,1-3H3
InChIKeyIQYGRIBXRFYPMM-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol

4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol (PubChem CID 101299553) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
PubChem CID101299553
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
SMILESCc1cc(-c2ccc(O)c(O)c2O)cc(C)c1C
InChIInChI=1S/C15H16O3/c1-8-6-11(7-9(2)10(8)3)12-4-5-13(16)15(18)14(12)17/h4-7,16-18H,1-3H3
InChIKeyIQYGRIBXRFYPMM-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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Related Compounds

3,4-bis(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 151204371
4-(4-hydroxy-3,5-dimethylphenyl)-2,3-dimethylphenol
CID 139788678
3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 101299392
4-(4-hydroxy-2,5-dimethylphenyl)benzene-1,2,3-triol
CID 173290740
4-(2,3,6-trihydroxyphenyl)benzene-1,2,3-triol
CID 141142234
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580
benzene-1,2,3,4-tetrol;methanol
CID 174976921
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
CID 157145365
4-naphthalen-2-ylbenzene-1,2,3-triol
CID 54019836
3,4-bis(4-methylphenyl)benzene-1,2-diol
CID 175325124
3-methyl-6-phenylbenzene-1,2-diol;bis(3-phenylbenzene-1,2-diol)
CID 67932172

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol?
The IUPAC name of 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol (CID 101299553) is 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol is Cc1cc(-c2ccc(O)c(O)c2O)cc(C)c1C.
What is the InChIKey of 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol?
The InChIKey is IQYGRIBXRFYPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-6-11(7-9(2)10(8)3)12-4-5-13(16)15(18)14(12)17/h4-7,16-18H,1-3H3.
What are the key properties of 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol?
4-(3,4,5-trimethylphenyl)benzene-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 4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol is sourced from PubChem (CID 101299553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).