1,1-bis(4-ethoxyphenyl)propan-2-one

C19H22O3 — CID 3059723

IUPAC1,1-bis(4-ethoxyphenyl)propan-2-one
SMILESCCOc1ccc(C(C(C)=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H22O3/c1-4-21-17-10-6-15(7-11-17)19(14(3)20)16-8-12-18(13-9-16)22-5-2/h6-13,19H,4-5H2,1-3H3
InChIKeyOHQVZOKGYZHABU-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.20
Rot. Bonds7

About 1,1-bis(4-ethoxyphenyl)propan-2-one

1,1-bis(4-ethoxyphenyl)propan-2-one (PubChem CID 3059723) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1,1-bis(4-ethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,1-bis(4-ethoxyphenyl)propan-2-one
PubChem CID3059723
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1,1-bis(4-ethoxyphenyl)propan-2-one
SMILESCCOc1ccc(C(C(C)=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H22O3/c1-4-21-17-10-6-15(7-11-17)19(14(3)20)16-8-12-18(13-9-16)22-5-2/h6-13,19H,4-5H2,1-3H3
InChIKeyOHQVZOKGYZHABU-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-ethoxyphenyl)propan-2-one?
The IUPAC name of 1,1-bis(4-ethoxyphenyl)propan-2-one (CID 3059723) is 1,1-bis(4-ethoxyphenyl)propan-2-one.
What is the SMILES notation for 1,1-bis(4-ethoxyphenyl)propan-2-one?
The canonical SMILES for 1,1-bis(4-ethoxyphenyl)propan-2-one is CCOc1ccc(C(C(C)=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1,1-bis(4-ethoxyphenyl)propan-2-one?
The InChIKey is OHQVZOKGYZHABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-21-17-10-6-15(7-11-17)19(14(3)20)16-8-12-18(13-9-16)22-5-2/h6-13,19H,4-5H2,1-3H3.
What are the key properties of 1,1-bis(4-ethoxyphenyl)propan-2-one?
1,1-bis(4-ethoxyphenyl)propan-2-one has a molecular weight of 298.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-ethoxyphenyl)propan-2-one is sourced from PubChem (CID 3059723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).