(1-phenyl-1-propoxypropan-2-yl) propanoate

C15H22O3 — CID 155148718

IUPAC(1-phenyl-1-propoxypropan-2-yl) propanoate
SMILESCCCOC(c1ccccc1)C(C)OC(=O)CC
InChIInChI=1S/C15H22O3/c1-4-11-17-15(12(3)18-14(16)5-2)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11H2,1-3H3
InChIKeyNVFVZBKPKYQHSN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.50
Rot. Bonds7

About (1-phenyl-1-propoxypropan-2-yl) propanoate

(1-phenyl-1-propoxypropan-2-yl) propanoate (PubChem CID 155148718) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-phenyl-1-propoxypropan-2-yl) propanoate.

Molecular Properties

Compound Name(1-phenyl-1-propoxypropan-2-yl) propanoate
PubChem CID155148718
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1-phenyl-1-propoxypropan-2-yl) propanoate
SMILESCCCOC(c1ccccc1)C(C)OC(=O)CC
InChIInChI=1S/C15H22O3/c1-4-11-17-15(12(3)18-14(16)5-2)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11H2,1-3H3
InChIKeyNVFVZBKPKYQHSN-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate
CID 155148787
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
ethanol;1-phenylethyl propanoate
CID 175279617
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
(2-oxo-1-phenylbutyl) propanoate
CID 102378018
[phenyl(propanoyloxy)methyl] 2-methylpropanoate
CID 58579244
6-phenyl-4-propoxyheptan-3-one
CID 83226446
methane;1-phenylethyl butanoate
CID 175131064
2-propoxypropyl propanoate;toluene
CID 145115506
3-propanoyloxybutan-2-yl propanoate
CID 14494224
propyl (2R)-2-phenylpropanoate
CID 14926551

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-1-propoxypropan-2-yl) propanoate?
The IUPAC name of (1-phenyl-1-propoxypropan-2-yl) propanoate (CID 155148718) is (1-phenyl-1-propoxypropan-2-yl) propanoate.
What is the SMILES notation for (1-phenyl-1-propoxypropan-2-yl) propanoate?
The canonical SMILES for (1-phenyl-1-propoxypropan-2-yl) propanoate is CCCOC(c1ccccc1)C(C)OC(=O)CC.
What is the InChIKey of (1-phenyl-1-propoxypropan-2-yl) propanoate?
The InChIKey is NVFVZBKPKYQHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-11-17-15(12(3)18-14(16)5-2)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11H2,1-3H3.
What are the key properties of (1-phenyl-1-propoxypropan-2-yl) propanoate?
(1-phenyl-1-propoxypropan-2-yl) propanoate has a molecular weight of 250.34 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-1-propoxypropan-2-yl) propanoate is sourced from PubChem (CID 155148718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).