1-(4-methoxyphenyl)nonan-1-one

C16H24O2 — CID 3628625

IUPAC1-(4-methoxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-16(17)14-10-12-15(18-2)13-11-14/h10-13H,3-9H2,1-2H3
InChIKeyHKMYZRGEJASUJM-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.63
Rot. Bonds9

About 1-(4-methoxyphenyl)nonan-1-one

1-(4-methoxyphenyl)nonan-1-one (PubChem CID 3628625) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)nonan-1-one
PubChem CID3628625
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-methoxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-16(17)14-10-12-15(18-2)13-11-14/h10-13H,3-9H2,1-2H3
InChIKeyHKMYZRGEJASUJM-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
methyl 4-nonanoylbenzoate
CID 70923237
1-(4-methoxyphenyl)-8-methylnonane-1,7-dione
CID 70230200
(4-undecanoylphenyl) dihydrogen phosphite
CID 174776002

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)nonan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)nonan-1-one (CID 3628625) is 1-(4-methoxyphenyl)nonan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)nonan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)nonan-1-one is CCCCCCCCC(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)nonan-1-one?
The InChIKey is HKMYZRGEJASUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-16(17)14-10-12-15(18-2)13-11-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)nonan-1-one?
1-(4-methoxyphenyl)nonan-1-one has a molecular weight of 248.37 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)nonan-1-one is sourced from PubChem (CID 3628625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).