1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one

C18H26O2 — CID 102429180

IUPAC1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one
SMILESC=CCC(CCCCCC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H26O2/c1-4-6-7-8-10-15(9-5-2)18(19)16-11-13-17(20-3)14-12-16/h5,11-15H,2,4,6-10H2,1,3H3
InChIKeyXIFWUKZNTDVBOR-UHFFFAOYSA-N
MW274.40 g/mol
LogP5.04
Rot. Bonds10

About 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one

1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one (PubChem CID 102429180) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one
PubChem CID102429180
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one
SMILESC=CCC(CCCCCC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H26O2/c1-4-6-7-8-10-15(9-5-2)18(19)16-11-13-17(20-3)14-12-16/h5,11-15H,2,4,6-10H2,1,3H3
InChIKeyXIFWUKZNTDVBOR-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one
CID 10751309
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
ethyl 2-(4-methoxybenzoyl)octanoate
CID 71505430
[7-[(dimethylazaniumyl)methyl]-2-(4-methoxybenzoyl)-8-(4-methoxyphenyl)-8-oxooctyl]-dimethylazanium
CID 3983400
2-prop-2-enyloctadecaneperoxoic acid
CID 87139819
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
2-prop-2-enyloctadecanoic acid
CID 54468209
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2,7-bis[(tert-butylamino)methyl]-1,8-bis(4-methoxyphenyl)octane-1,8-dione
CID 45126954

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one (CID 102429180) is 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one is C=CCC(CCCCCC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one?
The InChIKey is XIFWUKZNTDVBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-6-7-8-10-15(9-5-2)18(19)16-11-13-17(20-3)14-12-16/h5,11-15H,2,4,6-10H2,1,3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one?
1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one has a molecular weight of 274.40 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one is sourced from PubChem (CID 102429180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).