methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate

C16H16O4 — CID 82975676

IUPACmethyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccc(CO)cc1
InChIInChI=1S/C16H16O4/c1-19-16(18)15-5-3-2-4-13(15)11-20-14-8-6-12(10-17)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyQQGHFOPRWMUNDA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds5

About methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate

methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate (PubChem CID 82975676) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
PubChem CID82975676
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccc(CO)cc1
InChIInChI=1S/C16H16O4/c1-19-16(18)15-5-3-2-4-13(15)11-20-14-8-6-12(10-17)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyQQGHFOPRWMUNDA-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

[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[[4-[2-(4-imidazol-1-ylphenoxy)ethyl]phenoxy]methyl]benzoate
CID 68869830
methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 110027237
methyl 2-(bromomethyl)benzoate;4-phenylphenol;2-[(4-phenylphenoxy)methyl]benzoic acid
CID 160711335
methyl 2-[(5-bromo-3-pyridinyl)oxymethyl]benzoate
CID 82976044
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
2-[[4-(2-chloro-2-oxoethyl)phenoxy]methyl]benzoyl chloride
CID 58986826

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate (CID 82975676) is methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate is COC(=O)c1ccccc1COc1ccc(CO)cc1.
What is the InChIKey of methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The InChIKey is QQGHFOPRWMUNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-16(18)15-5-3-2-4-13(15)11-20-14-8-6-12(10-17)7-9-14/h2-9,17H,10-11H2,1H3.
What are the key properties of methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
methyl 2-[[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 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 82975676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).