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

C15H16O3 — CID 101299580

IUPAC2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
SMILESCc1cc(-c2c(O)cc(O)cc2O)cc(C)c1C
InChIInChI=1S/C15H16O3/c1-8-4-11(5-9(2)10(8)3)15-13(17)6-12(16)7-14(15)18/h4-7,16-18H,1-3H3
InChIKeyYEJCALXSWMKDLU-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

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

2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol (PubChem CID 101299580) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
PubChem CID101299580
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
SMILESCc1cc(-c2c(O)cc(O)cc2O)cc(C)c1C
InChIInChI=1S/C15H16O3/c1-8-4-11(5-9(2)10(8)3)15-13(17)6-12(16)7-14(15)18/h4-7,16-18H,1-3H3
InChIKeyYEJCALXSWMKDLU-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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Related Compounds

5-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299652
methane;3,4,5-trimethylphenol
CID 174273113
5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
CID 101299469
4-(3,4,5-trimethylphenyl)benzene-1,2,3-triol
CID 101299553
4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
CID 101299642
3-(4-hydroxyphenyl)-2,4,5-trimethylphenol
CID 101299207
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
CID 101299529
3-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
CID 101299322
5-(4-hydroxyphenyl)-4-methylbenzene-1,3-diol
CID 101299721
3-(3,4,5-trimethylphenyl)phenol
CID 101298838
5-(2,4,6-trimethylphenyl)benzene-1,3-diol
CID 101299183
2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol
CID 54501397

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol?
The IUPAC name of 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol (CID 101299580) is 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol.
What is the SMILES notation for 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol?
The canonical SMILES for 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol is Cc1cc(-c2c(O)cc(O)cc2O)cc(C)c1C.
What is the InChIKey of 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol?
The InChIKey is YEJCALXSWMKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-11(5-9(2)10(8)3)15-13(17)6-12(16)7-14(15)18/h4-7,16-18H,1-3H3.
What are the key properties of 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol?
2-(3,4,5-trimethylphenyl)benzene-1,3,5-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 2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol is sourced from PubChem (CID 101299580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).