1-phenylpropyl 2-hydroxyacetate

C11H14O3 — CID 174847309

IUPAC1-phenylpropyl 2-hydroxyacetate
SMILESCCC(OC(=O)CO)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-10(14-11(13)8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyKEACOOWFKOPLID-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.67
Rot. Bonds4

About 1-phenylpropyl 2-hydroxyacetate

1-phenylpropyl 2-hydroxyacetate (PubChem CID 174847309) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-phenylpropyl 2-hydroxyacetate.

Molecular Properties

Compound Name1-phenylpropyl 2-hydroxyacetate
PubChem CID174847309
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-phenylpropyl 2-hydroxyacetate
SMILESCCC(OC(=O)CO)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-10(14-11(13)8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyKEACOOWFKOPLID-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylpropyl 2-phenylacetate
CID 59360641
1-phenylpropyl 2-pyridin-4-ylacetate
CID 11780100
1-phenylpropyl 2-phenylpropanoate
CID 174489936
1-phenylpropyl 2-hydroxybenzoate
CID 101286985
1-phenylpropyl (E)-but-2-enoate
CID 22706710
1-O-(3-methylbut-2-enyl) 4-O-(1-phenylpropyl) butanedioate
CID 91698627
1-phenylpropyl 2-phenylethaneperoxoate
CID 174752064
heptyl 1-phenylpropyl carbonate
CID 67180028
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
1-phenylpropyl butaneperoxoate
CID 174751754
O-(1-phenylpropyl) methylsulfanylmethanethioate
CID 86183246
[(1R)-2-chloro-1-phenylethyl] pentanoate
CID 71352661

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropyl 2-hydroxyacetate?
The IUPAC name of 1-phenylpropyl 2-hydroxyacetate (CID 174847309) is 1-phenylpropyl 2-hydroxyacetate.
What is the SMILES notation for 1-phenylpropyl 2-hydroxyacetate?
The canonical SMILES for 1-phenylpropyl 2-hydroxyacetate is CCC(OC(=O)CO)c1ccccc1.
What is the InChIKey of 1-phenylpropyl 2-hydroxyacetate?
The InChIKey is KEACOOWFKOPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-10(14-11(13)8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3.
What are the key properties of 1-phenylpropyl 2-hydroxyacetate?
1-phenylpropyl 2-hydroxyacetate has a molecular weight of 194.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropyl 2-hydroxyacetate is sourced from PubChem (CID 174847309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).