5-(4-methylphenoxy)octan-4-one

C15H22O2 — CID 172616767

IUPAC5-(4-methylphenoxy)octan-4-one
SMILESCCCC(=O)C(CCC)Oc1ccc(C)cc1
InChIInChI=1S/C15H22O2/c1-4-6-14(16)15(7-5-2)17-13-10-8-12(3)9-11-13/h8-11,15H,4-7H2,1-3H3
InChIKeyKQXHFAYYACFOCX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.91
Rot. Bonds7

About 5-(4-methylphenoxy)octan-4-one

5-(4-methylphenoxy)octan-4-one (PubChem CID 172616767) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(4-methylphenoxy)octan-4-one.

Molecular Properties

Compound Name5-(4-methylphenoxy)octan-4-one
PubChem CID172616767
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-(4-methylphenoxy)octan-4-one
SMILESCCCC(=O)C(CCC)Oc1ccc(C)cc1
InChIInChI=1S/C15H22O2/c1-4-6-14(16)15(7-5-2)17-13-10-8-12(3)9-11-13/h8-11,15H,4-7H2,1-3H3
InChIKeyKQXHFAYYACFOCX-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-hydroxyphenoxy)nonan-4-one
CID 141059837
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
2-(4-methylphenoxy)butanamide
CID 4980758
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
2-(4-methylphenyl)hexan-3-one
CID 83047098
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
4-(4-methylphenoxy)pentanoic acid
CID 62214144

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)octan-4-one?
The IUPAC name of 5-(4-methylphenoxy)octan-4-one (CID 172616767) is 5-(4-methylphenoxy)octan-4-one.
What is the SMILES notation for 5-(4-methylphenoxy)octan-4-one?
The canonical SMILES for 5-(4-methylphenoxy)octan-4-one is CCCC(=O)C(CCC)Oc1ccc(C)cc1.
What is the InChIKey of 5-(4-methylphenoxy)octan-4-one?
The InChIKey is KQXHFAYYACFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-6-14(16)15(7-5-2)17-13-10-8-12(3)9-11-13/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 5-(4-methylphenoxy)octan-4-one?
5-(4-methylphenoxy)octan-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)octan-4-one is sourced from PubChem (CID 172616767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).