5-methoxy-1-phenylheptan-4-one

C14H20O2 — CID 116707095

IUPAC5-methoxy-1-phenylheptan-4-one
SMILESCCC(OC)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-14(16-2)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyYRKLFJAVGJYQGU-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.00
Rot. Bonds7

About 5-methoxy-1-phenylheptan-4-one

5-methoxy-1-phenylheptan-4-one (PubChem CID 116707095) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-methoxy-1-phenylheptan-4-one.

Molecular Properties

Compound Name5-methoxy-1-phenylheptan-4-one
PubChem CID116707095
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-methoxy-1-phenylheptan-4-one
SMILESCCC(OC)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-14(16-2)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyYRKLFJAVGJYQGU-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-1,5-diphenylpentan-2-one
CID 116751355
4-methoxy-1-phenylheptan-3-one
CID 116708295
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790
5-nitro-1-phenylheptan-4-one
CID 46848176
methyl 3-oxo-6-phenylhexanoate
CID 12701554
3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
2-methyl-7-phenylheptan-3-one
CID 13129845
3-phenylpropyl 3-amino-2-methoxypropanoate
CID 114144556
2-methyl-9-phenylnonan-3-one
CID 58366233
5-phenylpentan-2-one
CID 16701
5-ethyl-5-methoxy-1-phenylheptan-4-one
CID 116747402
5-(aminomethyl)-1-phenyloctan-4-one
CID 116574452

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenylheptan-4-one?
The IUPAC name of 5-methoxy-1-phenylheptan-4-one (CID 116707095) is 5-methoxy-1-phenylheptan-4-one.
What is the SMILES notation for 5-methoxy-1-phenylheptan-4-one?
The canonical SMILES for 5-methoxy-1-phenylheptan-4-one is CCC(OC)C(=O)CCCc1ccccc1.
What is the InChIKey of 5-methoxy-1-phenylheptan-4-one?
The InChIKey is YRKLFJAVGJYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-14(16-2)13(15)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3.
What are the key properties of 5-methoxy-1-phenylheptan-4-one?
5-methoxy-1-phenylheptan-4-one has a molecular weight of 220.31 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenylheptan-4-one is sourced from PubChem (CID 116707095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).