methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate

C19H20O4 — CID 7965379

IUPACmethyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H20O4/c1-12-5-6-13(2)17(11-12)18(20)14(3)23-16-9-7-15(8-10-16)19(21)22-4/h5-11,14H,1-4H3/t14-/m1/s1
InChIKeySIANXYYNICSWJL-CQSZACIVSA-N
MW312.37 g/mol
LogP3.74
Rot. Bonds5

About methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 7965379) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate
PubChem CID7965379
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Namemethyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H20O4/c1-12-5-6-13(2)17(11-12)18(20)14(3)23-16-9-7-15(8-10-16)19(21)22-4/h5-11,14H,1-4H3/t14-/m1/s1
InChIKeySIANXYYNICSWJL-CQSZACIVSA-N
XLogP3.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxycarbonylphenyl) 2,5-dimethylbenzoate
CID 7956904
methyl 4-methyl-3-(2-methylpropanoyl)benzoate
CID 83388725
(4-methoxycarbonylphenyl) 2,4-dimethylbenzoate
CID 8961318
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986022
1-(2,5-dimethylphenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412979
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one
CID 55231661
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
CID 103178860
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate (CID 7965379) is methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(O[C@H](C)C(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is SIANXYYNICSWJL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20O4/c1-12-5-6-13(2)17(11-12)18(20)14(3)23-16-9-7-15(8-10-16)19(21)22-4/h5-11,14H,1-4H3/t14-/m1/s1.
What are the key properties of methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 312.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 7965379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).