1-(4-phenylmethoxyphenoxy)propan-2-yl acetate

C18H20O4 — CID 54480267

IUPAC1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
SMILESCC(=O)OC(C)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c1-14(22-15(2)19)12-20-17-8-10-18(11-9-17)21-13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
InChIKeyIIOQCZBLCUEYOP-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.60
Rot. Bonds7

About 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate

1-(4-phenylmethoxyphenoxy)propan-2-yl acetate (PubChem CID 54480267) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
PubChem CID54480267
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
SMILESCC(=O)OC(C)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c1-14(22-15(2)19)12-20-17-8-10-18(11-9-17)21-13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
InChIKeyIIOQCZBLCUEYOP-UHFFFAOYSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
1-[4-(trifluoromethyl)phenoxy]propan-2-yl acetate
CID 67250236
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
CID 67071566
[(2R)-1-butoxypropan-2-yl] 4-phenylmethoxybenzoate
CID 139696533
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate?
The IUPAC name of 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate (CID 54480267) is 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate.
What is the SMILES notation for 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate?
The canonical SMILES for 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate is CC(=O)OC(C)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate?
The InChIKey is IIOQCZBLCUEYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-14(22-15(2)19)12-20-17-8-10-18(11-9-17)21-13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate?
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate has a molecular weight of 300.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenoxy)propan-2-yl acetate is sourced from PubChem (CID 54480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).