methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate

C16H15FO4 — CID 110027237

IUPACmethyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(F)c(COc2ccc(CO)cc2)c1
InChIInChI=1S/C16H15FO4/c1-20-16(19)12-4-7-15(17)13(8-12)10-21-14-5-2-11(9-18)3-6-14/h2-8,18H,9-10H2,1H3
InChIKeyAWLVJKVKNSHLPD-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.68
Rot. Bonds5

About methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate

methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate (PubChem CID 110027237) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
PubChem CID110027237
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Namemethyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(F)c(COc2ccc(CO)cc2)c1
InChIInChI=1S/C16H15FO4/c1-20-16(19)12-4-7-15(17)13(8-12)10-21-14-5-2-11(9-18)3-6-14/h2-8,18H,9-10H2,1H3
InChIKeyAWLVJKVKNSHLPD-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 107458202
methyl 3-[[4-(2,4-difluorophenyl)phenoxy]methyl]-4-fluorobenzoate
CID 67246231
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(5-cyano-2-fluorophenyl)methoxy]benzoate
CID 60705441
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139
methyl 4-[(3-cyano-4-fluorophenyl)methoxy]benzoate
CID 103758781
methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate (CID 110027237) is methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate is COC(=O)c1ccc(F)c(COc2ccc(CO)cc2)c1.
What is the InChIKey of methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
The InChIKey is AWLVJKVKNSHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-20-16(19)12-4-7-15(17)13(8-12)10-21-14-5-2-11(9-18)3-6-14/h2-8,18H,9-10H2,1H3.
What are the key properties of methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate?
methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate has a molecular weight of 290.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 110027237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).