methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate

C16H24O3 — CID 19864962

IUPACmethyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate
SMILESCOC(=O)CCCC(C)(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C16H24O3/c1-11-9-12(2)15(18)13(10-11)16(3,4)8-6-7-14(17)19-5/h9-10,18H,6-8H2,1-5H3
InChIKeyMVPXLZQYNIIGTF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds5

About methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate

methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate (PubChem CID 19864962) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate
PubChem CID19864962
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate
SMILESCOC(=O)CCCC(C)(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C16H24O3/c1-11-9-12(2)15(18)13(10-11)16(3,4)8-6-7-14(17)19-5/h9-10,18H,6-8H2,1-5H3
InChIKeyMVPXLZQYNIIGTF-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(3,5-ditert-butyl-2-hydroxyphenyl)-5-methylhexanoate
CID 19865079
methyl 5-(5-chloro-2-hydroxyphenyl)-5-methylhexanoate
CID 19864950
methyl 5-(6-hydroxy-3-methyl-2-sulfanylphenyl)-5-methylhexanoate
CID 19864989
methyl 3-[3-tert-butyl-5-[5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2-methylpentan-2-yl]-4-hydroxyphenyl]propanoate
CID 166737137
methyl 5-[3,6-dihydroxy-2-(6-methoxy-2-methyl-6-oxohexan-2-yl)phenyl]-5-methylhexanoate
CID 87411500
methyl 3-tert-butyl-5-[3-[3-[5-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2,5-dimethylhexan-2-yl]-2,5-dihydroxyphenyl]-2,3-dimethylbutan-2-yl]-4-hydroxybenzoate
CID 142287638
methyl 5-[6-(6-methoxy-2-methyl-6-oxohexan-2-yl)anthracen-2-yl]-5-methylhexanoate
CID 23180142
methyl 5-[7-(6-methoxy-2-methyl-6-oxohexan-2-yl)anthracen-2-yl]-5-methylhexanoate
CID 18986362
2-tert-butyl-4,6-dimethylphenol
CID 87814182
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
dimethyl 2,2-dimethylhexanedioate
CID 28400
methyl 3-tert-butyl-5-[5-(3-tert-butyl-2-hydroxy-5-methoxycarbonylphenyl)-2,5-dimethylhexan-2-yl]-4-hydroxybenzoate
CID 146363427

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
The IUPAC name of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate (CID 19864962) is methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate.
What is the SMILES notation for methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
The canonical SMILES for methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate is COC(=O)CCCC(C)(C)c1cc(C)cc(C)c1O.
What is the InChIKey of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
The InChIKey is MVPXLZQYNIIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-9-12(2)15(18)13(10-11)16(3,4)8-6-7-14(17)19-5/h9-10,18H,6-8H2,1-5H3.
What are the key properties of methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate?
methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate has a molecular weight of 264.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-hydroxy-3,5-dimethylphenyl)-5-methylhexanoate is sourced from PubChem (CID 19864962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).