7-(oxan-2-yloxy)-1-phenylheptan-3-one

C18H26O3 — CID 14472634

IUPAC7-(oxan-2-yloxy)-1-phenylheptan-3-one
SMILESO=C(CCCCOC1CCCCO1)CCc1ccccc1
InChIInChI=1S/C18H26O3/c19-17(13-12-16-8-2-1-3-9-16)10-4-6-14-20-18-11-5-7-15-21-18/h1-3,8-9,18H,4-7,10-15H2
InChIKeyNFNGHHSLAMQMPO-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.90
Rot. Bonds9

About 7-(oxan-2-yloxy)-1-phenylheptan-3-one

7-(oxan-2-yloxy)-1-phenylheptan-3-one (PubChem CID 14472634) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 7-(oxan-2-yloxy)-1-phenylheptan-3-one.

Molecular Properties

Compound Name7-(oxan-2-yloxy)-1-phenylheptan-3-one
PubChem CID14472634
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name7-(oxan-2-yloxy)-1-phenylheptan-3-one
SMILESO=C(CCCCOC1CCCCO1)CCc1ccccc1
InChIInChI=1S/C18H26O3/c19-17(13-12-16-8-2-1-3-9-16)10-4-6-14-20-18-11-5-7-15-21-18/h1-3,8-9,18H,4-7,10-15H2
InChIKeyNFNGHHSLAMQMPO-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

oxan-2-yl 3-phenylpropanoate
CID 10609743
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid
CID 70606312
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
CID 157181032
1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
CID 102370086
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-2-yloxy)-1-phenylheptan-3-one?
The IUPAC name of 7-(oxan-2-yloxy)-1-phenylheptan-3-one (CID 14472634) is 7-(oxan-2-yloxy)-1-phenylheptan-3-one.
What is the SMILES notation for 7-(oxan-2-yloxy)-1-phenylheptan-3-one?
The canonical SMILES for 7-(oxan-2-yloxy)-1-phenylheptan-3-one is O=C(CCCCOC1CCCCO1)CCc1ccccc1.
What is the InChIKey of 7-(oxan-2-yloxy)-1-phenylheptan-3-one?
The InChIKey is NFNGHHSLAMQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c19-17(13-12-16-8-2-1-3-9-16)10-4-6-14-20-18-11-5-7-15-21-18/h1-3,8-9,18H,4-7,10-15H2.
What are the key properties of 7-(oxan-2-yloxy)-1-phenylheptan-3-one?
7-(oxan-2-yloxy)-1-phenylheptan-3-one has a molecular weight of 290.40 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-2-yloxy)-1-phenylheptan-3-one is sourced from PubChem (CID 14472634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).