methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate

C21H25FO4 — CID 144768653

IUPACmethyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)cccc1-c1ccc(OC)c(F)c1
InChIInChI=1S/C21H25FO4/c1-13-8-7-9-15(14-10-11-17(24-5)16(22)12-14)18(13)19(20(23)25-6)26-21(2,3)4/h7-12,19H,1-6H3
InChIKeyVKZXQIZIVMUUTM-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.84
Rot. Bonds5

About methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 144768653) has the molecular formula C21H25FO4 and a molecular weight of 360.43 g/mol. Its IUPAC name is methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID144768653
Molecular FormulaC21H25FO4
Molecular Weight360.43 g/mol
Exact Mass360.17
IUPAC Namemethyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)cccc1-c1ccc(OC)c(F)c1
InChIInChI=1S/C21H25FO4/c1-13-8-7-9-15(14-10-11-17(24-5)16(22)12-14)18(13)19(20(23)25-6)26-21(2,3)4/h7-12,19H,1-6H3
InChIKeyVKZXQIZIVMUUTM-UHFFFAOYSA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
methyl (2S,3R)-2-[[4-(3-fluoro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]benzoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 69348318
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
methyl 2-[2-(2-aminophenyl)-4-(3,4-dimethylphenyl)-5-(methanesulfonamido)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90380421
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 146373332
methyl 2-[2-(2-aminophenyl)-4-(3,4-dimethylphenyl)-5-[[(Z)-ethylidene(methyl)-λ4-sulfanyl]amino]-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 163719569
1-ethyl-3-(3-fluoro-4-methoxyphenyl)-2-methylsulfonylbenzene
CID 174335580
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
CID 168532493
3-chloro-4-(3-fluoro-4-methoxyphenyl)benzoic acid
CID 81308426

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 144768653) is methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1c(C)cccc1-c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is VKZXQIZIVMUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FO4/c1-13-8-7-9-15(14-10-11-17(24-5)16(22)12-14)18(13)19(20(23)25-6)26-21(2,3)4/h7-12,19H,1-6H3.
What are the key properties of methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 360.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-fluoro-4-methoxyphenyl)-6-methylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 144768653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).