methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate

C16H16O4 — CID 23631878

IUPACmethyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H16O4/c1-19-16(18)14-6-2-13(3-7-14)11-20-15-8-4-12(10-17)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyAHVVYWMRBSSREB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds5

About methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate

methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate (PubChem CID 23631878) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
PubChem CID23631878
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H16O4/c1-19-16(18)14-6-2-13(3-7-14)11-20-15-8-4-12(10-17)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyAHVVYWMRBSSREB-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

methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[4-[(2R)-2-bromopropanoyl]phenoxy]methyl]benzoate
CID 97161564
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052
methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 110027237
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate (CID 23631878) is methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(CO)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The InChIKey is AHVVYWMRBSSREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-16(18)14-6-2-13(3-7-14)11-20-15-8-4-12(10-17)5-9-15/h2-9,17H,10-11H2,1H3.
What are the key properties of methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate 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 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 23631878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).