1,3-bis(phenylmethoxy)propan-2-yl propanoate

C20H24O4 — CID 172575065

IUPAC1,3-bis(phenylmethoxy)propan-2-yl propanoate
SMILESCCC(=O)OC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C20H24O4/c1-2-20(21)24-19(15-22-13-17-9-5-3-6-10-17)16-23-14-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyXEYGZTGWYCYPJV-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.74
Rot. Bonds10

About 1,3-bis(phenylmethoxy)propan-2-yl propanoate

1,3-bis(phenylmethoxy)propan-2-yl propanoate (PubChem CID 172575065) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)propan-2-yl propanoate.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)propan-2-yl propanoate
PubChem CID172575065
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1,3-bis(phenylmethoxy)propan-2-yl propanoate
SMILESCCC(=O)OC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C20H24O4/c1-2-20(21)24-19(15-22-13-17-9-5-3-6-10-17)16-23-14-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyXEYGZTGWYCYPJV-UHFFFAOYSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-octanoyloxy-3-phenylmethoxypropyl] octanoate
CID 45039090
[1-dodecoxy-3-(2-phenylmethoxyethylamino)propan-2-yl] propanoate
CID 170033266
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262
[(2S)-2-(8-fluorooctanoyloxy)-3-phenylmethoxypropyl] hexadecanoate
CID 10674482
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
methane;4-methoxy-5-phenylmethoxypentan-2-one
CID 159731500
propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
CID 101383246
benzyl propanoate;hydrochloride
CID 140986165
[(2R)-1-cyano-3-phenylmethoxypropan-2-yl] acetate
CID 15965802
ethanol;1-phenylethyl propanoate
CID 175279617
[1-(4-methylmorpholin-4-ium-4-yl)-3-phenylmethoxypropan-2-yl] 3-phenylpropanoate iodide
CID 14592500

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)propan-2-yl propanoate?
The IUPAC name of 1,3-bis(phenylmethoxy)propan-2-yl propanoate (CID 172575065) is 1,3-bis(phenylmethoxy)propan-2-yl propanoate.
What is the SMILES notation for 1,3-bis(phenylmethoxy)propan-2-yl propanoate?
The canonical SMILES for 1,3-bis(phenylmethoxy)propan-2-yl propanoate is CCC(=O)OC(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)propan-2-yl propanoate?
The InChIKey is XEYGZTGWYCYPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-2-20(21)24-19(15-22-13-17-9-5-3-6-10-17)16-23-14-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3.
What are the key properties of 1,3-bis(phenylmethoxy)propan-2-yl propanoate?
1,3-bis(phenylmethoxy)propan-2-yl propanoate has a molecular weight of 328.41 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylmethoxy)propan-2-yl propanoate is sourced from PubChem (CID 172575065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).