5-methyl-4-phenylbenzene-1,2,3-triol

C13H12O3 — CID 101299656

IUPAC5-methyl-4-phenylbenzene-1,2,3-triol
SMILESCc1cc(O)c(O)c(O)c1-c1ccccc1
InChIInChI=1S/C13H12O3/c1-8-7-10(14)12(15)13(16)11(8)9-5-3-2-4-6-9/h2-7,14-16H,1H3
InChIKeySRFFMADUFIJKHH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

About 5-methyl-4-phenylbenzene-1,2,3-triol

5-methyl-4-phenylbenzene-1,2,3-triol (PubChem CID 101299656) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-4-phenylbenzene-1,2,3-triol.

Molecular Properties

Compound Name5-methyl-4-phenylbenzene-1,2,3-triol
PubChem CID101299656
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-methyl-4-phenylbenzene-1,2,3-triol
SMILESCc1cc(O)c(O)c(O)c1-c1ccccc1
InChIInChI=1S/C13H12O3/c1-8-7-10(14)12(15)13(16)11(8)9-5-3-2-4-6-9/h2-7,14-16H,1H3
InChIKeySRFFMADUFIJKHH-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'}

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Related Compounds

5-methyl-6-phenylbenzene-1,2,4-triol
CID 101299657
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
2-tert-butyl-3,5-dimethyl-4-phenylphenol
CID 142778103
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
CID 45097937
7-methyl-4-phenyl-1,3-dihydro-2-benzofuran-5-ol
CID 138973700
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
2,3-dimethyl-6-phenyl-5-sulfanylphenol
CID 87447580
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
2-hydroxy-4-methyl-3-phenylbenzoic acid
CID 71254300

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenylbenzene-1,2,3-triol?
The IUPAC name of 5-methyl-4-phenylbenzene-1,2,3-triol (CID 101299656) is 5-methyl-4-phenylbenzene-1,2,3-triol.
What is the SMILES notation for 5-methyl-4-phenylbenzene-1,2,3-triol?
The canonical SMILES for 5-methyl-4-phenylbenzene-1,2,3-triol is Cc1cc(O)c(O)c(O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenylbenzene-1,2,3-triol?
The InChIKey is SRFFMADUFIJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-7-10(14)12(15)13(16)11(8)9-5-3-2-4-6-9/h2-7,14-16H,1H3.
What are the key properties of 5-methyl-4-phenylbenzene-1,2,3-triol?
5-methyl-4-phenylbenzene-1,2,3-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-4-phenylbenzene-1,2,3-triol is sourced from PubChem (CID 101299656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).