[(2R)-2-(4-phenoxyphenoxy)propyl] acetate

C17H18O4 — CID 10589281

IUPAC[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
SMILESCC(=O)OC[C@@H](C)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-13(12-19-14(2)18)20-16-8-10-17(11-9-16)21-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyIRIRELQSPVUCIS-CYBMUJFWSA-N
MW286.33 g/mol
LogP3.81
Rot. Bonds6

About [(2R)-2-(4-phenoxyphenoxy)propyl] acetate

[(2R)-2-(4-phenoxyphenoxy)propyl] acetate (PubChem CID 10589281) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(2R)-2-(4-phenoxyphenoxy)propyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
PubChem CID10589281
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
SMILESCC(=O)OC[C@@H](C)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-13(12-19-14(2)18)20-16-8-10-17(11-9-16)21-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyIRIRELQSPVUCIS-CYBMUJFWSA-N
XLogP3.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
CID 54569126
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
2-methylpropyl acetate;toluene
CID 19602176
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 69422745
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium
CID 156684299
2-phenoxypropyl octanoate
CID 73080448
2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid
CID 70618231
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803
3-fluoro-2-(2-phenoxypropoxyamino)prop-2-enoic acid
CID 57230498
[(2S)-2-phenylpropyl] acetate
CID 10261650
sodium;2-(2-phenoxypropoxyimino)propanoate;O-(2-phenoxypropyl)hydroxylamine
CID 74089093

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-phenoxyphenoxy)propyl] acetate?
The IUPAC name of [(2R)-2-(4-phenoxyphenoxy)propyl] acetate (CID 10589281) is [(2R)-2-(4-phenoxyphenoxy)propyl] acetate.
What is the SMILES notation for [(2R)-2-(4-phenoxyphenoxy)propyl] acetate?
The canonical SMILES for [(2R)-2-(4-phenoxyphenoxy)propyl] acetate is CC(=O)OC[C@@H](C)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(2R)-2-(4-phenoxyphenoxy)propyl] acetate?
The InChIKey is IRIRELQSPVUCIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18O4/c1-13(12-19-14(2)18)20-16-8-10-17(11-9-16)21-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(4-phenoxyphenoxy)propyl] acetate?
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate has a molecular weight of 286.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-phenoxyphenoxy)propyl] acetate is sourced from PubChem (CID 10589281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).