2-methoxy-1,7-diphenylheptan-4-one

C20H24O2 — CID 24881476

IUPAC2-methoxy-1,7-diphenylheptan-4-one
SMILESCOC(CC(=O)CCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24O2/c1-22-20(15-18-11-6-3-7-12-18)16-19(21)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,20H,8,13-16H2,1H3
InChIKeyUSKBMIPEEKSVBH-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.23
Rot. Bonds9

About 2-methoxy-1,7-diphenylheptan-4-one

2-methoxy-1,7-diphenylheptan-4-one (PubChem CID 24881476) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methoxy-1,7-diphenylheptan-4-one.

Molecular Properties

Compound Name2-methoxy-1,7-diphenylheptan-4-one
PubChem CID24881476
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-methoxy-1,7-diphenylheptan-4-one
SMILESCOC(CC(=O)CCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24O2/c1-22-20(15-18-11-6-3-7-12-18)16-19(21)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,20H,8,13-16H2,1H3
InChIKeyUSKBMIPEEKSVBH-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,7-diphenylheptan-4-one?
The IUPAC name of 2-methoxy-1,7-diphenylheptan-4-one (CID 24881476) is 2-methoxy-1,7-diphenylheptan-4-one.
What is the SMILES notation for 2-methoxy-1,7-diphenylheptan-4-one?
The canonical SMILES for 2-methoxy-1,7-diphenylheptan-4-one is COC(CC(=O)CCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-methoxy-1,7-diphenylheptan-4-one?
The InChIKey is USKBMIPEEKSVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-22-20(15-18-11-6-3-7-12-18)16-19(21)14-8-13-17-9-4-2-5-10-17/h2-7,9-12,20H,8,13-16H2,1H3.
What are the key properties of 2-methoxy-1,7-diphenylheptan-4-one?
2-methoxy-1,7-diphenylheptan-4-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 2-methoxy-1,7-diphenylheptan-4-one is sourced from PubChem (CID 24881476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).