6-methoxy-1,8-diphenyloctan-4-one

C21H26O2 — CID 24881817

IUPAC6-methoxy-1,8-diphenyloctan-4-one
SMILESCOC(CCc1ccccc1)CC(=O)CCCc1ccccc1
InChIInChI=1S/C21H26O2/c1-23-21(16-15-19-11-6-3-7-12-19)17-20(22)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,21H,8,13-17H2,1H3
InChIKeyVBTOLIDIZCEFLC-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.62
Rot. Bonds10

About 6-methoxy-1,8-diphenyloctan-4-one

6-methoxy-1,8-diphenyloctan-4-one (PubChem CID 24881817) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-methoxy-1,8-diphenyloctan-4-one.

Molecular Properties

Compound Name6-methoxy-1,8-diphenyloctan-4-one
PubChem CID24881817
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name6-methoxy-1,8-diphenyloctan-4-one
SMILESCOC(CCc1ccccc1)CC(=O)CCCc1ccccc1
InChIInChI=1S/C21H26O2/c1-23-21(16-15-19-11-6-3-7-12-19)17-20(22)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,21H,8,13-17H2,1H3
InChIKeyVBTOLIDIZCEFLC-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 246929
Benzenepropanoic acid, 3-phenylpropyl ester
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Dihydroyashabushiketol
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5-Biphenyl-4-yl-3-hydroxy-pentanoic acid
CID 11391583
Isopropyl 3-phenylpropionate
CID 347496
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
Ethyl beta-oxo-alpha-phenylbenzenebutanoate
CID 95325
1,5-Diphenylpentan-3-one
CID 21496
5-(Biphenyl-4-yl)-3-methoxypentanoic acid
CID 45482998
trans-3-(4-Phenylbutyl)-4-propyloxetan-2-one
CID 154724033
Ethyl 2,2-dibenzyl-3-oxobutanoate
CID 521112

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,8-diphenyloctan-4-one?
The IUPAC name of 6-methoxy-1,8-diphenyloctan-4-one (CID 24881817) is 6-methoxy-1,8-diphenyloctan-4-one.
What is the SMILES notation for 6-methoxy-1,8-diphenyloctan-4-one?
The canonical SMILES for 6-methoxy-1,8-diphenyloctan-4-one is COC(CCc1ccccc1)CC(=O)CCCc1ccccc1.
What is the InChIKey of 6-methoxy-1,8-diphenyloctan-4-one?
The InChIKey is VBTOLIDIZCEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-23-21(16-15-19-11-6-3-7-12-19)17-20(22)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,21H,8,13-17H2,1H3.
What are the key properties of 6-methoxy-1,8-diphenyloctan-4-one?
6-methoxy-1,8-diphenyloctan-4-one has a molecular weight of 310.44 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,8-diphenyloctan-4-one is sourced from PubChem (CID 24881817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).