propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate

C14H20O3 — CID 16637947

IUPACpropan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-10(2)16-13-7-5-12(6-8-13)9-14(15)17-11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyLHONNNDUUQWEPY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds5

About propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate

propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate (PubChem CID 16637947) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
PubChem CID16637947
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namepropan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-10(2)16-13-7-5-12(6-8-13)9-14(15)17-11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyLHONNNDUUQWEPY-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
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methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate
CID 62706893
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
propan-2-yl 2-(4-nitrophenyl)acetate
CID 86145562
propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
CID 82550592
(4-propan-2-yloxyphenyl)methyl propanoate
CID 130434136
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
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propan-2-yl 2-(6-iodo-3-pyridinyl)acetate
CID 133059735

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate?
The IUPAC name of propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate (CID 16637947) is propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate is CC(C)OC(=O)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate?
The InChIKey is LHONNNDUUQWEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)16-13-7-5-12(6-8-13)9-14(15)17-11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate?
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 16637947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).