6-phenylmethoxyoctan-3-one

C15H22O2 — CID 163975632

IUPAC6-phenylmethoxyoctan-3-one
SMILESCCC(=O)CCC(CC)OCc1ccccc1
InChIInChI=1S/C15H22O2/c1-3-14(16)10-11-15(4-2)17-12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeySTVXNFBQBLDZNK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.74
Rot. Bonds8

About 6-phenylmethoxyoctan-3-one

6-phenylmethoxyoctan-3-one (PubChem CID 163975632) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-phenylmethoxyoctan-3-one.

Molecular Properties

Compound Name6-phenylmethoxyoctan-3-one
PubChem CID163975632
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-phenylmethoxyoctan-3-one
SMILESCCC(=O)CCC(CC)OCc1ccccc1
InChIInChI=1S/C15H22O2/c1-3-14(16)10-11-15(4-2)17-12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeySTVXNFBQBLDZNK-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
hexan-3-yloxymethylbenzene
CID 20782034
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
3-phenylmethoxypentane-1-thiol
CID 21429433
2-hydroxy-16-phenylmethoxyoctadecanoic acid
CID 101300485
13-acetyloxy-16-phenylmethoxyoctadecanoic acid
CID 101301119
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
barium(2+);bis(3-hydroxy-16-phenylmethoxyoctadecanoate)
CID 101300486
(2R)-2-(2-phenylmethoxybutyl)butanedioic acid
CID 57018513
16-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300105
2-phenylmethoxybutanoic acid
CID 11816388

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyoctan-3-one?
The IUPAC name of 6-phenylmethoxyoctan-3-one (CID 163975632) is 6-phenylmethoxyoctan-3-one.
What is the SMILES notation for 6-phenylmethoxyoctan-3-one?
The canonical SMILES for 6-phenylmethoxyoctan-3-one is CCC(=O)CCC(CC)OCc1ccccc1.
What is the InChIKey of 6-phenylmethoxyoctan-3-one?
The InChIKey is STVXNFBQBLDZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-14(16)10-11-15(4-2)17-12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3.
What are the key properties of 6-phenylmethoxyoctan-3-one?
6-phenylmethoxyoctan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyoctan-3-one is sourced from PubChem (CID 163975632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).