5-methoxy-1,7-diphenylheptan-3-one

C20H24O2 — CID 5319430

IUPAC5-methoxy-1,7-diphenylheptan-3-one
SMILESCOC(CCc1ccccc1)CC(=O)CCc1ccccc1
InChIInChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
InChIKeyPVYORFBABSDDNC-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.23
Rot. Bonds9

About 5-methoxy-1,7-diphenylheptan-3-one

5-methoxy-1,7-diphenylheptan-3-one (PubChem CID 5319430) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-methoxy-1,7-diphenylheptan-3-one.

Molecular Properties

Compound Name5-methoxy-1,7-diphenylheptan-3-one
PubChem CID5319430
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name5-methoxy-1,7-diphenylheptan-3-one
SMILESCOC(CCc1ccccc1)CC(=O)CCc1ccccc1
InChIInChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
InChIKeyPVYORFBABSDDNC-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.23
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
CID 108879
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
4-Methoxy-3,6-diphenylcyclohex-4-ene-1,2-dione
CID 44583823

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,7-diphenylheptan-3-one?
The IUPAC name of 5-methoxy-1,7-diphenylheptan-3-one (CID 5319430) is 5-methoxy-1,7-diphenylheptan-3-one.
What is the SMILES notation for 5-methoxy-1,7-diphenylheptan-3-one?
The canonical SMILES for 5-methoxy-1,7-diphenylheptan-3-one is COC(CCc1ccccc1)CC(=O)CCc1ccccc1.
What is the InChIKey of 5-methoxy-1,7-diphenylheptan-3-one?
The InChIKey is PVYORFBABSDDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3.
What are the key properties of 5-methoxy-1,7-diphenylheptan-3-one?
5-methoxy-1,7-diphenylheptan-3-one has a molecular weight of 296.41 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,7-diphenylheptan-3-one is sourced from PubChem (CID 5319430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).