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

C19H22O4 — CID 15656534

IUPAC1,3-bis(phenylmethoxy)propan-2-yl acetate
SMILESCC(=O)OC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H22O4/c1-16(20)23-19(14-21-12-17-8-4-2-5-9-17)15-22-13-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
InChIKeyYOOVYPREHWZTQR-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.35
Rot. Bonds9

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

1,3-bis(phenylmethoxy)propan-2-yl acetate (PubChem CID 15656534) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)propan-2-yl acetate.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)propan-2-yl acetate
PubChem CID15656534
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1,3-bis(phenylmethoxy)propan-2-yl acetate
SMILESCC(=O)OC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H22O4/c1-16(20)23-19(14-21-12-17-8-4-2-5-9-17)15-22-13-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
InChIKeyYOOVYPREHWZTQR-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)propan-2-yl acetate?
The IUPAC name of 1,3-bis(phenylmethoxy)propan-2-yl acetate (CID 15656534) is 1,3-bis(phenylmethoxy)propan-2-yl acetate.
What is the SMILES notation for 1,3-bis(phenylmethoxy)propan-2-yl acetate?
The canonical SMILES for 1,3-bis(phenylmethoxy)propan-2-yl acetate is CC(=O)OC(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)propan-2-yl acetate?
The InChIKey is YOOVYPREHWZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-16(20)23-19(14-21-12-17-8-4-2-5-9-17)15-22-13-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3.
What are the key properties of 1,3-bis(phenylmethoxy)propan-2-yl acetate?
1,3-bis(phenylmethoxy)propan-2-yl acetate has a molecular weight of 314.38 g/mol, XLogP of 3.35, 9 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 acetate is sourced from PubChem (CID 15656534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).