methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate

C16H16O4 — CID 24813623

IUPACmethyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(CO)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-19-16(18)14-7-13(10-17)8-15(9-14)20-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyXHVFILZXFZYVRQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds5

About methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate

methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate (PubChem CID 24813623) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
PubChem CID24813623
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(CO)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-19-16(18)14-7-13(10-17)8-15(9-14)20-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyXHVFILZXFZYVRQ-UHFFFAOYSA-N
XLogP2.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
dimethyl 5-[(2-fluorophenyl)methoxy]benzene-1,3-dicarboxylate;dimethyl 5-hydroxybenzene-1,3-dicarboxylate;3-[(2-fluorophenyl)methoxy]-5-(hydroxymethyl)benzoic acid;3-[(2-fluorophenyl)methoxy]-5-methoxycarbonylbenzoic acid;methyl 3-[(2-fluorophenyl)methoxy]-5-(hydroxymethyl)benzoate
CID 159016040
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
methyl 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoate
CID 59127096
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoate;sulfane
CID 161286829
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
CID 101175069
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate?
The IUPAC name of methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate (CID 24813623) is methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate?
The canonical SMILES for methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate is COC(=O)c1cc(CO)cc(OCc2ccccc2)c1.
What is the InChIKey of methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate?
The InChIKey is XHVFILZXFZYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-16(18)14-7-13(10-17)8-15(9-14)20-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate?
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate is sourced from PubChem (CID 24813623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).