5-methoxy-1,6-diphenylhexan-3-one

C19H22O2 — CID 24881815

IUPAC5-methoxy-1,6-diphenylhexan-3-one
SMILESCOC(CC(=O)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22O2/c1-21-19(14-17-10-6-3-7-11-17)15-18(20)13-12-16-8-4-2-5-9-16/h2-11,19H,12-15H2,1H3
InChIKeySIEUAGSHDMTQKU-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.84
Rot. Bonds8

About 5-methoxy-1,6-diphenylhexan-3-one

5-methoxy-1,6-diphenylhexan-3-one (PubChem CID 24881815) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-methoxy-1,6-diphenylhexan-3-one.

Molecular Properties

Compound Name5-methoxy-1,6-diphenylhexan-3-one
PubChem CID24881815
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name5-methoxy-1,6-diphenylhexan-3-one
SMILESCOC(CC(=O)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22O2/c1-21-19(14-17-10-6-3-7-11-17)15-18(20)13-12-16-8-4-2-5-9-16/h2-11,19H,12-15H2,1H3
InChIKeySIEUAGSHDMTQKU-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,6-diphenylhexan-3-one?
The IUPAC name of 5-methoxy-1,6-diphenylhexan-3-one (CID 24881815) is 5-methoxy-1,6-diphenylhexan-3-one.
What is the SMILES notation for 5-methoxy-1,6-diphenylhexan-3-one?
The canonical SMILES for 5-methoxy-1,6-diphenylhexan-3-one is COC(CC(=O)CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 5-methoxy-1,6-diphenylhexan-3-one?
The InChIKey is SIEUAGSHDMTQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-21-19(14-17-10-6-3-7-11-17)15-18(20)13-12-16-8-4-2-5-9-16/h2-11,19H,12-15H2,1H3.
What are the key properties of 5-methoxy-1,6-diphenylhexan-3-one?
5-methoxy-1,6-diphenylhexan-3-one has a molecular weight of 282.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,6-diphenylhexan-3-one is sourced from PubChem (CID 24881815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).