5-methyl-6-phenylbenzene-1,2,4-triol

C13H12O3 — CID 101299657

IUPAC5-methyl-6-phenylbenzene-1,2,4-triol
SMILESCc1c(O)cc(O)c(O)c1-c1ccccc1
InChIInChI=1S/C13H12O3/c1-8-10(14)7-11(15)13(16)12(8)9-5-3-2-4-6-9/h2-7,14-16H,1H3
InChIKeyHZAAKXDYSYHUPI-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

About 5-methyl-6-phenylbenzene-1,2,4-triol

5-methyl-6-phenylbenzene-1,2,4-triol (PubChem CID 101299657) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-6-phenylbenzene-1,2,4-triol.

Molecular Properties

Compound Name5-methyl-6-phenylbenzene-1,2,4-triol
PubChem CID101299657
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-methyl-6-phenylbenzene-1,2,4-triol
SMILESCc1c(O)cc(O)c(O)c1-c1ccccc1
InChIInChI=1S/C13H12O3/c1-8-10(14)7-11(15)13(16)12(8)9-5-3-2-4-6-9/h2-7,14-16H,1H3
InChIKeyHZAAKXDYSYHUPI-UHFFFAOYSA-N
XLogP2.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.78
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299805
5-methyl-4-phenylbenzene-1,2,3-triol
CID 101299656
3-methyl-2,4-diphenylnaphthalen-1-ol
CID 134947598
4-(4-hydroxy-3-methylphenyl)-2-methyl-3,5-diphenylphenol
CID 88788542
3-phenyl-4,5-di(propan-2-yl)benzene-1,2-diol
CID 88710522
2-methyl-1-phenyl-9H-carbazol-3-ol
CID 11097717
2,3-dimethyl-6-phenyl-5-sulfanylphenol
CID 87447580
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
CID 160922447
2-tert-butyl-3,5-dimethyl-4-phenylphenol
CID 142778103
2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
CID 139945789
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenylbenzene-1,2,4-triol?
The IUPAC name of 5-methyl-6-phenylbenzene-1,2,4-triol (CID 101299657) is 5-methyl-6-phenylbenzene-1,2,4-triol.
What is the SMILES notation for 5-methyl-6-phenylbenzene-1,2,4-triol?
The canonical SMILES for 5-methyl-6-phenylbenzene-1,2,4-triol is Cc1c(O)cc(O)c(O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-6-phenylbenzene-1,2,4-triol?
The InChIKey is HZAAKXDYSYHUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-10(14)7-11(15)13(16)12(8)9-5-3-2-4-6-9/h2-7,14-16H,1H3.
What are the key properties of 5-methyl-6-phenylbenzene-1,2,4-triol?
5-methyl-6-phenylbenzene-1,2,4-triol has a molecular weight of 216.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenylbenzene-1,2,4-triol is sourced from PubChem (CID 101299657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).