1-phenoxypropan-2-yl 2-propoxypropanoate

C15H22O4 — CID 173394224

IUPAC1-phenoxypropan-2-yl 2-propoxypropanoate
SMILESCCCOC(C)C(=O)OC(C)COc1ccccc1
InChIInChI=1S/C15H22O4/c1-4-10-17-13(3)15(16)19-12(2)11-18-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyGTLZRPDMZOJURH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.81
Rot. Bonds8

About 1-phenoxypropan-2-yl 2-propoxypropanoate

1-phenoxypropan-2-yl 2-propoxypropanoate (PubChem CID 173394224) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-phenoxypropan-2-yl 2-propoxypropanoate.

Molecular Properties

Compound Name1-phenoxypropan-2-yl 2-propoxypropanoate
PubChem CID173394224
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-phenoxypropan-2-yl 2-propoxypropanoate
SMILESCCCOC(C)C(=O)OC(C)COc1ccccc1
InChIInChI=1S/C15H22O4/c1-4-10-17-13(3)15(16)19-12(2)11-18-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyGTLZRPDMZOJURH-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-phenoxypropan-2-yl] (2S)-2-methyl-3-oxoheptanoate
CID 18444108
1-[4-[2-(4-propoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-butoxypropanoate
CID 19866106
1-phenoxypropan-2-yl benzoate
CID 59854364
1-[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-propoxypropanoate
CID 19866153
1-[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-pentoxypropanoate
CID 19866108
2-(2-phenoxyethoxy)propanehydrazide
CID 63586818
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
1-phenyl-2-propoxypropan-1-one
CID 43801137
2-(1-phenoxypropan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 170549371
1-[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-pentoxypropanoate
CID 19866113
3-(1-phenoxypropan-2-yloxy)propan-1-amine
CID 117067435
propan-2-yl 2-amino-3-phenoxypropanoate
CID 123209648

Frequently Asked Questions

What is the IUPAC name of 1-phenoxypropan-2-yl 2-propoxypropanoate?
The IUPAC name of 1-phenoxypropan-2-yl 2-propoxypropanoate (CID 173394224) is 1-phenoxypropan-2-yl 2-propoxypropanoate.
What is the SMILES notation for 1-phenoxypropan-2-yl 2-propoxypropanoate?
The canonical SMILES for 1-phenoxypropan-2-yl 2-propoxypropanoate is CCCOC(C)C(=O)OC(C)COc1ccccc1.
What is the InChIKey of 1-phenoxypropan-2-yl 2-propoxypropanoate?
The InChIKey is GTLZRPDMZOJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-10-17-13(3)15(16)19-12(2)11-18-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of 1-phenoxypropan-2-yl 2-propoxypropanoate?
1-phenoxypropan-2-yl 2-propoxypropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxypropan-2-yl 2-propoxypropanoate is sourced from PubChem (CID 173394224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).