1,3-bis(phenylmethoxy)propan-2-one

C17H18O3 — CID 11391582

IUPAC1,3-bis(phenylmethoxy)propan-2-one
SMILESO=C(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C17H18O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyUDANXEQSQZYNRE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds8

About 1,3-bis(phenylmethoxy)propan-2-one

1,3-bis(phenylmethoxy)propan-2-one (PubChem CID 11391582) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)propan-2-one.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)propan-2-one
PubChem CID11391582
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1,3-bis(phenylmethoxy)propan-2-one
SMILESO=C(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C17H18O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyUDANXEQSQZYNRE-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)propan-2-one?
The IUPAC name of 1,3-bis(phenylmethoxy)propan-2-one (CID 11391582) is 1,3-bis(phenylmethoxy)propan-2-one.
What is the SMILES notation for 1,3-bis(phenylmethoxy)propan-2-one?
The canonical SMILES for 1,3-bis(phenylmethoxy)propan-2-one is O=C(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)propan-2-one?
The InChIKey is UDANXEQSQZYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 1,3-bis(phenylmethoxy)propan-2-one?
1,3-bis(phenylmethoxy)propan-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylmethoxy)propan-2-one is sourced from PubChem (CID 11391582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).