methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate

C16H24O5 — CID 62395777

IUPACmethyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
SMILESCOC(=O)C(C(C)C)C(C)(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H24O5/c1-10(2)14(15(17)21-6)16(3,18)12-9-11(19-4)7-8-13(12)20-5/h7-10,14,18H,1-6H3
InChIKeyLZCVFTAWQHEHDT-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.36
Rot. Bonds6

About methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate

methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate (PubChem CID 62395777) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
PubChem CID62395777
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Namemethyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
SMILESCOC(=O)C(C(C)C)C(C)(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H24O5/c1-10(2)14(15(17)21-6)16(3,18)12-9-11(19-4)7-8-13(12)20-5/h7-10,14,18H,1-6H3
InChIKeyLZCVFTAWQHEHDT-UHFFFAOYSA-N
XLogP2.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 62393818
2-(2,5-dimethoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 60992136
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
methyl 3-(3,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395949
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
methyl 2-(2,5-dimethoxyanilino)propanoate
CID 54941046
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate?
The IUPAC name of methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate (CID 62395777) is methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate.
What is the SMILES notation for methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate?
The canonical SMILES for methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate is COC(=O)C(C(C)C)C(C)(O)c1cc(OC)ccc1OC.
What is the InChIKey of methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate?
The InChIKey is LZCVFTAWQHEHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-10(2)14(15(17)21-6)16(3,18)12-9-11(19-4)7-8-13(12)20-5/h7-10,14,18H,1-6H3.
What are the key properties of methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate?
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate has a molecular weight of 296.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate is sourced from PubChem (CID 62395777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).