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

C22H19FO4 — CID 7221984

IUPAC(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
SMILESCOc1ccc(COC(=O)c2ccc(OCc3ccccc3)cc2)cc1F
InChIInChI=1S/C22H19FO4/c1-25-21-12-7-17(13-20(21)23)15-27-22(24)18-8-10-19(11-9-18)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3
InChIKeyXFRDSZHJGIWVQG-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.77
Rot. Bonds7

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

(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate (PubChem CID 7221984) has the molecular formula C22H19FO4 and a molecular weight of 366.39 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
PubChem CID7221984
Molecular FormulaC22H19FO4
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
SMILESCOc1ccc(COC(=O)c2ccc(OCc3ccccc3)cc2)cc1F
InChIInChI=1S/C22H19FO4/c1-25-21-12-7-17(13-20(21)23)15-27-22(24)18-8-10-19(11-9-18)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3
InChIKeyXFRDSZHJGIWVQG-UHFFFAOYSA-N
XLogP4.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7546510
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(4-bromo-2-fluorophenyl) 4-phenylmethoxybenzoate
CID 20586871
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate (CID 7221984) is (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate is COc1ccc(COC(=O)c2ccc(OCc3ccccc3)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate?
The InChIKey is XFRDSZHJGIWVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO4/c1-25-21-12-7-17(13-20(21)23)15-27-22(24)18-8-10-19(11-9-18)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate?
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate has a molecular weight of 366.39 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate is sourced from PubChem (CID 7221984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).