2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate

C16H24O3 — CID 169153466

IUPAC2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
SMILESCc1ccc(OC(C)COC(=O)C(C)C(C)C)cc1
InChIInChI=1S/C16H24O3/c1-11(2)14(5)16(17)18-10-13(4)19-15-8-6-12(3)7-9-15/h6-9,11,13-14H,10H2,1-5H3
InChIKeyYBNCNOYWFUTQAG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.60
Rot. Bonds6

About 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate

2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate (PubChem CID 169153466) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate.

Molecular Properties

Compound Name2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
PubChem CID169153466
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
SMILESCc1ccc(OC(C)COC(=O)C(C)C(C)C)cc1
InChIInChI=1S/C16H24O3/c1-11(2)14(5)16(17)18-10-13(4)19-15-8-6-12(3)7-9-15/h6-9,11,13-14H,10H2,1-5H3
InChIKeyYBNCNOYWFUTQAG-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
4-(4-methylphenoxy)pentanoic acid
CID 62214144
(3S)-3-[4-(4-methylphenoxy)phenoxy]butanoic acid
CID 103547877
1-[(2S)-2,3-dimethylbutanoyl]oxypropan-2-yl 4-acetyloxybenzoate
CID 177159638
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate
CID 68742934
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
2-(4-chlorophenoxy)propyl propanoate
CID 174445519
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate?
The IUPAC name of 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate (CID 169153466) is 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate.
What is the SMILES notation for 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate?
The canonical SMILES for 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate is Cc1ccc(OC(C)COC(=O)C(C)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate?
The InChIKey is YBNCNOYWFUTQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)14(5)16(17)18-10-13(4)19-15-8-6-12(3)7-9-15/h6-9,11,13-14H,10H2,1-5H3.
What are the key properties of 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate?
2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate has a molecular weight of 264.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate is sourced from PubChem (CID 169153466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).