4-methoxy-1-phenylheptan-3-one

C14H20O2 — CID 116708295

IUPAC4-methoxy-1-phenylheptan-3-one
SMILESCCCC(OC)C(=O)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-14(16-2)13(15)11-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyUIOADFSHCUKERO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.00
Rot. Bonds7

About 4-methoxy-1-phenylheptan-3-one

4-methoxy-1-phenylheptan-3-one (PubChem CID 116708295) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-methoxy-1-phenylheptan-3-one.

Molecular Properties

Compound Name4-methoxy-1-phenylheptan-3-one
PubChem CID116708295
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-methoxy-1-phenylheptan-3-one
SMILESCCCC(OC)C(=O)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-14(16-2)13(15)11-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyUIOADFSHCUKERO-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

2-methoxy-1,5-diphenylpentan-3-one
CID 50994790
5-methoxy-1-phenylheptan-4-one
CID 116707095
4-ethyl-1-phenylhexan-3-one
CID 71072308
4-hydroxy-1-phenylhexan-3-one
CID 103453087
1-phenylhexan-3-yl hydrogen carbonate
CID 67178978
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
5-methyl-1-phenyloctan-3-one
CID 62622474
tetradecan-4-yl 3-phenylpropanoate
CID 591386
(3-methoxy-4-methylideneoctyl)benzene
CID 71375436
4-methoxypentadecan-5-one
CID 116708152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylheptan-3-one?
The IUPAC name of 4-methoxy-1-phenylheptan-3-one (CID 116708295) is 4-methoxy-1-phenylheptan-3-one.
What is the SMILES notation for 4-methoxy-1-phenylheptan-3-one?
The canonical SMILES for 4-methoxy-1-phenylheptan-3-one is CCCC(OC)C(=O)CCc1ccccc1.
What is the InChIKey of 4-methoxy-1-phenylheptan-3-one?
The InChIKey is UIOADFSHCUKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-14(16-2)13(15)11-10-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10-11H2,1-2H3.
What are the key properties of 4-methoxy-1-phenylheptan-3-one?
4-methoxy-1-phenylheptan-3-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 4-methoxy-1-phenylheptan-3-one is sourced from PubChem (CID 116708295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).