5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol

C15H16O3 — CID 101299649

IUPAC5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol
SMILESCc1cc(-c2cc(O)cc(O)c2)c(O)c(C)c1C
InChIInChI=1S/C15H16O3/c1-8-4-14(15(18)10(3)9(8)2)11-5-12(16)7-13(17)6-11/h4-7,16-18H,1-3H3
InChIKeyIMOUZKUIXNUICB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

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

5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol (PubChem CID 101299649) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol
PubChem CID101299649
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol
SMILESCc1cc(-c2cc(O)cc(O)c2)c(O)c(C)c1C
InChIInChI=1S/C15H16O3/c1-8-4-14(15(18)10(3)9(8)2)11-5-12(16)7-13(17)6-11/h4-7,16-18H,1-3H3
InChIKeyIMOUZKUIXNUICB-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

6-(2-hydroxy-3,4,5-trimethylphenyl)-2,3,4-trimethylphenol
CID 18674738
5-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299652
4-(3-hydroxyphenyl)-2,6-dimethylbenzene-1,3-diol
CID 101299851
6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
CID 101299842
2-(3-hydroxy-5-methylphenyl)-4,6-dimethylphenol
CID 101299248
methane;3,4,5-trimethylphenol
CID 174273113
5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
CID 101299469
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
4-[4-(4-hydroxyphenyl)phenyl]-2,3,6-trimethylphenol
CID 22508138
CID 171820219
CID 171820219
1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
CID 157145365
5-(2,4,6-trimethylphenyl)benzene-1,3-diol
CID 101299183

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol?
The IUPAC name of 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol (CID 101299649) is 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol is Cc1cc(-c2cc(O)cc(O)c2)c(O)c(C)c1C.
What is the InChIKey of 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol?
The InChIKey is IMOUZKUIXNUICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-14(15(18)10(3)9(8)2)11-5-12(16)7-13(17)6-11/h4-7,16-18H,1-3H3.
What are the key properties of 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol?
5-(2-hydroxy-3,4,5-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 5-(2-hydroxy-3,4,5-trimethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101299649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).