2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate

C16H24O4 — CID 13175019

IUPAC2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCC(O)CO)cc1
InChIInChI=1S/C16H24O4/c1-11(2)8-13-4-6-14(7-5-13)12(3)16(19)20-10-15(18)9-17/h4-7,11-12,15,17-18H,8-10H2,1-3H3
InChIKeyUIMOFRMULCSFFF-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.88
Rot. Bonds7

About 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate

2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 13175019) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID13175019
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCC(O)CO)cc1
InChIInChI=1S/C16H24O4/c1-11(2)8-13-4-6-14(7-5-13)12(3)16(19)20-10-15(18)9-17/h4-7,11-12,15,17-18H,8-10H2,1-3H3
InChIKeyUIMOFRMULCSFFF-UHFFFAOYSA-N
XLogP1.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 13175019) is 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCC(O)CO)cc1.
What is the InChIKey of 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is UIMOFRMULCSFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-11(2)8-13-4-6-14(7-5-13)12(3)16(19)20-10-15(18)9-17/h4-7,11-12,15,17-18H,8-10H2,1-3H3.
What are the key properties of 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate?
2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 280.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 13175019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).