(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate

C15H13FO4 — CID 2627760

IUPAC(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
SMILESCOc1ccc(COC(=O)c2cccc(O)c2)cc1F
InChIInChI=1S/C15H13FO4/c1-19-14-6-5-10(7-13(14)16)9-20-15(18)11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
InChIKeyZMTWSYVCGFUUQE-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.90
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate

(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate (PubChem CID 2627760) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
PubChem CID2627760
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
SMILESCOc1ccc(COC(=O)c2cccc(O)c2)cc1F
InChIInChI=1S/C15H13FO4/c1-19-14-6-5-10(7-13(14)16)9-20-15(18)11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
InChIKeyZMTWSYVCGFUUQE-UHFFFAOYSA-N
XLogP2.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
(3-fluoro-4-methoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 2630800
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
benzyl 3-hydroxybenzoate
CID 11736317
(3-fluoro-4-methoxyphenyl)methyl 4-methylsulfanyl-3-nitrobenzoate
CID 7678276

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate (CID 2627760) is (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate is COc1ccc(COC(=O)c2cccc(O)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate?
The InChIKey is ZMTWSYVCGFUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-14-6-5-10(7-13(14)16)9-20-15(18)11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate?
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate has a molecular weight of 276.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate is sourced from PubChem (CID 2627760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).