5-(4-hydroxyphenoxy)nonan-4-one

C15H22O3 — CID 141059837

IUPAC5-(4-hydroxyphenoxy)nonan-4-one
SMILESCCCCC(Oc1ccc(O)cc1)C(=O)CCC
InChIInChI=1S/C15H22O3/c1-3-5-7-15(14(17)6-4-2)18-13-10-8-12(16)9-11-13/h8-11,15-16H,3-7H2,1-2H3
InChIKeyZPGYFKAZUNKGEB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.70
Rot. Bonds8

About 5-(4-hydroxyphenoxy)nonan-4-one

5-(4-hydroxyphenoxy)nonan-4-one (PubChem CID 141059837) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(4-hydroxyphenoxy)nonan-4-one.

Molecular Properties

Compound Name5-(4-hydroxyphenoxy)nonan-4-one
PubChem CID141059837
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5-(4-hydroxyphenoxy)nonan-4-one
SMILESCCCCC(Oc1ccc(O)cc1)C(=O)CCC
InChIInChI=1S/C15H22O3/c1-3-5-7-15(14(17)6-4-2)18-13-10-8-12(16)9-11-13/h8-11,15-16H,3-7H2,1-2H3
InChIKeyZPGYFKAZUNKGEB-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenoxy)octan-4-one
CID 172616767
5-[2-(chloromethyl)phenoxy]nonan-4-one
CID 174604718
(2R)-2-phenoxyhexanoic acid
CID 71401043
5-methoxynonan-4-one
CID 83225262
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
4-octan-3-yloxyphenol
CID 54268247
(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
CID 69040097
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
CID 69203842
2-(4-hexanoylphenoxy)decanoic acid
CID 56969633
4-(1-carboxydecoxy)benzoic acid
CID 23304106
2-phenoxy-N-phenylhexanamide
CID 70624716

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenoxy)nonan-4-one?
The IUPAC name of 5-(4-hydroxyphenoxy)nonan-4-one (CID 141059837) is 5-(4-hydroxyphenoxy)nonan-4-one.
What is the SMILES notation for 5-(4-hydroxyphenoxy)nonan-4-one?
The canonical SMILES for 5-(4-hydroxyphenoxy)nonan-4-one is CCCCC(Oc1ccc(O)cc1)C(=O)CCC.
What is the InChIKey of 5-(4-hydroxyphenoxy)nonan-4-one?
The InChIKey is ZPGYFKAZUNKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-5-7-15(14(17)6-4-2)18-13-10-8-12(16)9-11-13/h8-11,15-16H,3-7H2,1-2H3.
What are the key properties of 5-(4-hydroxyphenoxy)nonan-4-one?
5-(4-hydroxyphenoxy)nonan-4-one has a molecular weight of 250.34 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenoxy)nonan-4-one is sourced from PubChem (CID 141059837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).