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

C24H24O4 — CID 18973824

IUPACmethyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate
SMILESCOC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1O
InChIInChI=1S/C24H24O4/c1-27-24(26)21-15-14-18(16-22(21)25)10-7-12-20-11-5-6-13-23(20)28-17-19-8-3-2-4-9-19/h2-6,8-9,11,13-16,25H,7,10,12,17H2,1H3
InChIKeyIRFPGFBZDXVCOQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.93
Rot. Bonds8

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

methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate (PubChem CID 18973824) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate
PubChem CID18973824
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namemethyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate
SMILESCOC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1O
InChIInChI=1S/C24H24O4/c1-27-24(26)21-15-14-18(16-22(21)25)10-7-12-20-11-5-6-13-23(20)28-17-19-8-3-2-4-9-19/h2-6,8-9,11,13-16,25H,7,10,12,17H2,1H3
InChIKeyIRFPGFBZDXVCOQ-UHFFFAOYSA-N
XLogP4.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate
CID 16754223
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 4-[3-[5-(methylsulfanylmethyl)-2-phenylmethoxyphenyl]propyl]benzoate
CID 18974083
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 2-hydroxy-4-[2-(4-phenylmethoxyphenyl)ethynyl]benzoate
CID 70231054
3-oxo-6-(2-phenylmethoxyphenyl)hexanoic acid
CID 70435741
4-(2-phenylmethoxyphenyl)butan-2-one
CID 82184665
5-[3-(2-phenylmethoxyphenyl)propyl]thiophene-2-carboxylic acid
CID 67764114
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate (CID 18973824) is methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate is COC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate?
The InChIKey is IRFPGFBZDXVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-27-24(26)21-15-14-18(16-22(21)25)10-7-12-20-11-5-6-13-23(20)28-17-19-8-3-2-4-9-19/h2-6,8-9,11,13-16,25H,7,10,12,17H2,1H3.
What are the key properties of methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate?
methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate has a molecular weight of 376.45 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-[3-(2-phenylmethoxyphenyl)propyl]benzoate is sourced from PubChem (CID 18973824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).