1-phenyl-4-propoxyhexan-1-one

C15H22O2 — CID 57063907

IUPAC1-phenyl-4-propoxyhexan-1-one
SMILESCCCOC(CC)CCC(=O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-3-12-17-14(4-2)10-11-15(16)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyRLCBKDQJTWHOPT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.85
Rot. Bonds8

About 1-phenyl-4-propoxyhexan-1-one

1-phenyl-4-propoxyhexan-1-one (PubChem CID 57063907) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-phenyl-4-propoxyhexan-1-one.

Molecular Properties

Compound Name1-phenyl-4-propoxyhexan-1-one
PubChem CID57063907
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-phenyl-4-propoxyhexan-1-one
SMILESCCCOC(CC)CCC(=O)c1ccccc1
InChIInChI=1S/C15H22O2/c1-3-12-17-14(4-2)10-11-15(16)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyRLCBKDQJTWHOPT-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one
CID 90332671
1-phenylbutan-1-one
CID 10315
4-ethyl-1-phenyloctan-1-one
CID 63399594
1-phenylbutan-1-one;hydrobromide
CID 139638507
1-phenyl-2-propoxypropan-1-one
CID 43801137
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
4-chloro-1-phenylpentan-1-one
CID 14472970
4-(1-propoxyethyl)benzoic acid
CID 14473433
phenacyl 2-propylpentanoate
CID 3018234
3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
CID 116692176

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propoxyhexan-1-one?
The IUPAC name of 1-phenyl-4-propoxyhexan-1-one (CID 57063907) is 1-phenyl-4-propoxyhexan-1-one.
What is the SMILES notation for 1-phenyl-4-propoxyhexan-1-one?
The canonical SMILES for 1-phenyl-4-propoxyhexan-1-one is CCCOC(CC)CCC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-4-propoxyhexan-1-one?
The InChIKey is RLCBKDQJTWHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-12-17-14(4-2)10-11-15(16)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of 1-phenyl-4-propoxyhexan-1-one?
1-phenyl-4-propoxyhexan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propoxyhexan-1-one is sourced from PubChem (CID 57063907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).