methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate

C15H22O4 — CID 82347110

IUPACmethyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
SMILESCCOc1ccc(C)cc1C(O)CCCC(=O)OC
InChIInChI=1S/C15H22O4/c1-4-19-14-9-8-11(2)10-12(14)13(16)6-5-7-15(17)18-3/h8-10,13,16H,4-7H2,1-3H3
InChIKeyJEECRVIOVJPKHV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.77
Rot. Bonds7

About methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate

methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate (PubChem CID 82347110) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
PubChem CID82347110
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
SMILESCCOc1ccc(C)cc1C(O)CCCC(=O)OC
InChIInChI=1S/C15H22O4/c1-4-19-14-9-8-11(2)10-12(14)13(16)6-5-7-15(17)18-3/h8-10,13,16H,4-7H2,1-3H3
InChIKeyJEECRVIOVJPKHV-UHFFFAOYSA-N
XLogP2.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
methyl 4-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]butanoate
CID 78933644
methyl 5-(4-ethoxy-3-nitrophenyl)-5-hydroxypentanoate
CID 82347086
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297696
methyl 3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78955036
1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one
CID 112510811
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
CID 112510957
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate?
The IUPAC name of methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate (CID 82347110) is methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate.
What is the SMILES notation for methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate?
The canonical SMILES for methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate is CCOc1ccc(C)cc1C(O)CCCC(=O)OC.
What is the InChIKey of methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate?
The InChIKey is JEECRVIOVJPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-19-14-9-8-11(2)10-12(14)13(16)6-5-7-15(17)18-3/h8-10,13,16H,4-7H2,1-3H3.
What are the key properties of methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate?
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate is sourced from PubChem (CID 82347110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).