1,3-bis(3,5-dimethoxyphenyl)propan-2-one

C19H22O5 — CID 102293635

IUPAC1,3-bis(3,5-dimethoxyphenyl)propan-2-one
SMILESCOc1cc(CC(=O)Cc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C19H22O5/c1-21-16-7-13(8-17(11-16)22-2)5-15(20)6-14-9-18(23-3)12-19(10-14)24-4/h7-12H,5-6H2,1-4H3
InChIKeyIZSIYVQGEFAAIQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.08
Rot. Bonds8

About 1,3-bis(3,5-dimethoxyphenyl)propan-2-one

1,3-bis(3,5-dimethoxyphenyl)propan-2-one (PubChem CID 102293635) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(3,5-dimethoxyphenyl)propan-2-one
PubChem CID102293635
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1,3-bis(3,5-dimethoxyphenyl)propan-2-one
SMILESCOc1cc(CC(=O)Cc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C19H22O5/c1-21-16-7-13(8-17(11-16)22-2)5-15(20)6-14-9-18(23-3)12-19(10-14)24-4/h7-12H,5-6H2,1-4H3
InChIKeyIZSIYVQGEFAAIQ-UHFFFAOYSA-N
XLogP3.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethoxyphenyl)propan-2-one?
The IUPAC name of 1,3-bis(3,5-dimethoxyphenyl)propan-2-one (CID 102293635) is 1,3-bis(3,5-dimethoxyphenyl)propan-2-one.
What is the SMILES notation for 1,3-bis(3,5-dimethoxyphenyl)propan-2-one?
The canonical SMILES for 1,3-bis(3,5-dimethoxyphenyl)propan-2-one is COc1cc(CC(=O)Cc2cc(OC)cc(OC)c2)cc(OC)c1.
What is the InChIKey of 1,3-bis(3,5-dimethoxyphenyl)propan-2-one?
The InChIKey is IZSIYVQGEFAAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-21-16-7-13(8-17(11-16)22-2)5-15(20)6-14-9-18(23-3)12-19(10-14)24-4/h7-12H,5-6H2,1-4H3.
What are the key properties of 1,3-bis(3,5-dimethoxyphenyl)propan-2-one?
1,3-bis(3,5-dimethoxyphenyl)propan-2-one has a molecular weight of 330.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethoxyphenyl)propan-2-one is sourced from PubChem (CID 102293635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).