methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate

C23H22O4 — CID 18973865

IUPACmethyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(O)c1
InChIInChI=1S/C23H22O4/c1-26-23(25)20-14-12-18(21(24)15-20)11-13-19-9-5-6-10-22(19)27-16-17-7-3-2-4-8-17/h2-10,12,14-15,24H,11,13,16H2,1H3
InChIKeyLIJXHECMXMMTRS-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.54
Rot. Bonds7

About methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate

methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate (PubChem CID 18973865) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
PubChem CID18973865
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Namemethyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(O)c1
InChIInChI=1S/C23H22O4/c1-26-23(25)20-14-12-18(21(24)15-20)11-13-19-9-5-6-10-22(19)27-16-17-7-3-2-4-8-17/h2-10,12,14-15,24H,11,13,16H2,1H3
InChIKeyLIJXHECMXMMTRS-UHFFFAOYSA-N
XLogP4.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate
CID 18973824
methyl 3-hydroxy-4-(3-oxo-3-phenylpropyl)benzoate
CID 134845595
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzamide
CID 18974069
methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 18791405
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
methyl 4-[[4-(benzenesulfonylmethyl)-2-(2-phenylethyl)phenoxy]methyl]benzoate
CID 57218659

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate?
The IUPAC name of methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate (CID 18973865) is methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate.
What is the SMILES notation for methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate?
The canonical SMILES for methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate is COC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(O)c1.
What is the InChIKey of methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate?
The InChIKey is LIJXHECMXMMTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-26-23(25)20-14-12-18(21(24)15-20)11-13-19-9-5-6-10-22(19)27-16-17-7-3-2-4-8-17/h2-10,12,14-15,24H,11,13,16H2,1H3.
What are the key properties of methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate?
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate is sourced from PubChem (CID 18973865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).