methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate

C16H16O4 — CID 141491385

IUPACmethyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(O)c1C
InChIInChI=1S/C16H16O4/c1-11-13(16(18)19-2)8-9-14(15(11)17)20-10-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3
InChIKeyHHHQTNDXNWBVBU-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.07
Rot. Bonds4

About methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate

methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate (PubChem CID 141491385) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
PubChem CID141491385
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c(O)c1C
InChIInChI=1S/C16H16O4/c1-11-13(16(18)19-2)8-9-14(15(11)17)20-10-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3
InChIKeyHHHQTNDXNWBVBU-UHFFFAOYSA-N
XLogP3.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
methyl 4-hydroxy-2-(2-hydroxyethyl)-3-methyl-6-phenylmethoxybenzoate
CID 90855197

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate (CID 141491385) is methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate is COC(=O)c1ccc(OCc2ccccc2)c(O)c1C.
What is the InChIKey of methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate?
The InChIKey is HHHQTNDXNWBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-13(16(18)19-2)8-9-14(15(11)17)20-10-12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate?
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate is sourced from PubChem (CID 141491385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).