methyl 4-hydroxy-3-phenylbenzoate

C14H12O3 — CID 15066016

IUPACmethyl 4-hydroxy-3-phenylbenzoate
SMILESCOC(=O)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C14H12O3/c1-17-14(16)11-7-8-13(15)12(9-11)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyZZCILQFMBZXFFA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.85
Rot. Bonds2

About methyl 4-hydroxy-3-phenylbenzoate

methyl 4-hydroxy-3-phenylbenzoate (PubChem CID 15066016) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 4-hydroxy-3-phenylbenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-phenylbenzoate
PubChem CID15066016
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namemethyl 4-hydroxy-3-phenylbenzoate
SMILESCOC(=O)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C14H12O3/c1-17-14(16)11-7-8-13(15)12(9-11)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyZZCILQFMBZXFFA-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
methyl 3-(4-nitrophenyl)-4-phenylbenzoate
CID 71664817
methyl 2-phenylazulene-6-carboxylate
CID 23257786
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-phenylbenzoate?
The IUPAC name of methyl 4-hydroxy-3-phenylbenzoate (CID 15066016) is methyl 4-hydroxy-3-phenylbenzoate.
What is the SMILES notation for methyl 4-hydroxy-3-phenylbenzoate?
The canonical SMILES for methyl 4-hydroxy-3-phenylbenzoate is COC(=O)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of methyl 4-hydroxy-3-phenylbenzoate?
The InChIKey is ZZCILQFMBZXFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-17-14(16)11-7-8-13(15)12(9-11)10-5-3-2-4-6-10/h2-9,15H,1H3.
What are the key properties of methyl 4-hydroxy-3-phenylbenzoate?
methyl 4-hydroxy-3-phenylbenzoate has a molecular weight of 228.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-phenylbenzoate is sourced from PubChem (CID 15066016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).