methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate

C15H20O5 — CID 82553026

IUPACmethyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1cc(OC(C)C)ccc1OC
InChIInChI=1S/C15H20O5/c1-10(2)20-11-5-7-14(18-3)12(9-11)13(16)6-8-15(17)19-4/h5,7,9-10H,6,8H2,1-4H3
InChIKeySPOMGBJKQYQMBN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.62
Rot. Bonds7

About methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate

methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate (PubChem CID 82553026) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
PubChem CID82553026
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1cc(OC(C)C)ccc1OC
InChIInChI=1S/C15H20O5/c1-10(2)20-11-5-7-14(18-3)12(9-11)13(16)6-8-15(17)19-4/h5,7,9-10H,6,8H2,1-4H3
InChIKeySPOMGBJKQYQMBN-UHFFFAOYSA-N
XLogP2.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(5-chloro-2-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82550072
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
methyl 4-(4,5-dichloro-2-methoxyphenyl)-4-oxobutanoate
CID 82553971
4-O-[4-acetyl-3-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-methyl butanedioate
CID 70480452
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189
methyl 4-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanoate
CID 116919180
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate?
The IUPAC name of methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate (CID 82553026) is methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate is COC(=O)CCC(=O)c1cc(OC(C)C)ccc1OC.
What is the InChIKey of methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate?
The InChIKey is SPOMGBJKQYQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-10(2)20-11-5-7-14(18-3)12(9-11)13(16)6-8-15(17)19-4/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate?
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate has a molecular weight of 280.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 82553026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).