(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate

C16H15FO3 — CID 55319464

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
SMILESCOc1ccc(F)cc1COC(=O)Cc1ccccc1
InChIInChI=1S/C16H15FO3/c1-19-15-8-7-14(17)10-13(15)11-20-16(18)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3
InChIKeyZBHWQYRHIMZXSP-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.12
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate

(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate (PubChem CID 55319464) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
PubChem CID55319464
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
SMILESCOc1ccc(F)cc1COC(=O)Cc1ccccc1
InChIInChI=1S/C16H15FO3/c1-19-15-8-7-14(17)10-13(15)11-20-16(18)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3
InChIKeyZBHWQYRHIMZXSP-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
bis[(5-fluoro-2-methoxyphenyl)methyl] (E)-but-2-enedioate
CID 9010730
(5-fluoro-2-methoxyphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307859
(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375750
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
(5-fluoro-2-methoxyphenyl)methyl N,N-bis(sulfanylmethyl)carbamate
CID 88848186
(5-fluoro-2-methoxyphenyl)methyl 2-benzamido-3-methylpentanoate
CID 42898534
(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate
CID 9139699
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 55423607
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate (CID 55319464) is (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate is COc1ccc(F)cc1COC(=O)Cc1ccccc1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate?
The InChIKey is ZBHWQYRHIMZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-15-8-7-14(17)10-13(15)11-20-16(18)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate?
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate has a molecular weight of 274.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate is sourced from PubChem (CID 55319464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).