methyl 2,5-dihydroxy-4-phenylbenzoate

C14H12O4 — CID 166444407

IUPACmethyl 2,5-dihydroxy-4-phenylbenzoate
SMILESCOC(=O)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C14H12O4/c1-18-14(17)11-8-12(15)10(7-13(11)16)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKeyAUUJSUBRQXOJGC-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.55
Rot. Bonds2

About methyl 2,5-dihydroxy-4-phenylbenzoate

methyl 2,5-dihydroxy-4-phenylbenzoate (PubChem CID 166444407) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2,5-dihydroxy-4-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2,5-dihydroxy-4-phenylbenzoate
PubChem CID166444407
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namemethyl 2,5-dihydroxy-4-phenylbenzoate
SMILESCOC(=O)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C14H12O4/c1-18-14(17)11-8-12(15)10(7-13(11)16)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKeyAUUJSUBRQXOJGC-UHFFFAOYSA-N
XLogP2.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
methyl 3,8-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 101398505
methyl 5-bromo-2-fluoro-3-phenylbenzoate
CID 164891347

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dihydroxy-4-phenylbenzoate?
The IUPAC name of methyl 2,5-dihydroxy-4-phenylbenzoate (CID 166444407) is methyl 2,5-dihydroxy-4-phenylbenzoate.
What is the SMILES notation for methyl 2,5-dihydroxy-4-phenylbenzoate?
The canonical SMILES for methyl 2,5-dihydroxy-4-phenylbenzoate is COC(=O)c1cc(O)c(-c2ccccc2)cc1O.
What is the InChIKey of methyl 2,5-dihydroxy-4-phenylbenzoate?
The InChIKey is AUUJSUBRQXOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-14(17)11-8-12(15)10(7-13(11)16)9-5-3-2-4-6-9/h2-8,15-16H,1H3.
What are the key properties of methyl 2,5-dihydroxy-4-phenylbenzoate?
methyl 2,5-dihydroxy-4-phenylbenzoate has a molecular weight of 244.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dihydroxy-4-phenylbenzoate is sourced from PubChem (CID 166444407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).