(Z)-1-(4-methoxyphenyl)non-7-en-3-one

C16H22O2 — CID 102031685

IUPAC(Z)-1-(4-methoxyphenyl)non-7-en-3-one
SMILESC/C=C\CCCC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H22O2/c1-3-4-5-6-7-15(17)11-8-14-9-12-16(18-2)13-10-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3/b4-3-
InChIKeyPLJXRWKKGCJFFN-ARJAWSKDSA-N
MW246.35 g/mol
LogP3.94
Rot. Bonds8

About (Z)-1-(4-methoxyphenyl)non-7-en-3-one

(Z)-1-(4-methoxyphenyl)non-7-en-3-one (PubChem CID 102031685) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (Z)-1-(4-methoxyphenyl)non-7-en-3-one.

Molecular Properties

Compound Name(Z)-1-(4-methoxyphenyl)non-7-en-3-one
PubChem CID102031685
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(Z)-1-(4-methoxyphenyl)non-7-en-3-one
SMILESC/C=C\CCCC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H22O2/c1-3-4-5-6-7-15(17)11-8-14-9-12-16(18-2)13-10-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3/b4-3-
InChIKeyPLJXRWKKGCJFFN-ARJAWSKDSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.94
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

6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
CID 161222823
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
undeca-1,9-dienyl 4-methoxybenzoate
CID 54553843
5-(4-methoxyphenyl)pentanamide
CID 134389506

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methoxyphenyl)non-7-en-3-one?
The IUPAC name of (Z)-1-(4-methoxyphenyl)non-7-en-3-one (CID 102031685) is (Z)-1-(4-methoxyphenyl)non-7-en-3-one.
What is the SMILES notation for (Z)-1-(4-methoxyphenyl)non-7-en-3-one?
The canonical SMILES for (Z)-1-(4-methoxyphenyl)non-7-en-3-one is C/C=C\CCCC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of (Z)-1-(4-methoxyphenyl)non-7-en-3-one?
The InChIKey is PLJXRWKKGCJFFN-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-4-5-6-7-15(17)11-8-14-9-12-16(18-2)13-10-14/h3-4,9-10,12-13H,5-8,11H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-(4-methoxyphenyl)non-7-en-3-one?
(Z)-1-(4-methoxyphenyl)non-7-en-3-one has a molecular weight of 246.35 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methoxyphenyl)non-7-en-3-one is sourced from PubChem (CID 102031685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).