(Z)-1-(2-methoxyphenyl)non-1-en-3-one

C16H22O2 — CID 92528941

IUPAC(Z)-1-(2-methoxyphenyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C=C\c1ccccc1OC
InChIInChI=1S/C16H22O2/c1-3-4-5-6-10-15(17)13-12-14-9-7-8-11-16(14)18-2/h7-9,11-13H,3-6,10H2,1-2H3/b13-12-
InChIKeyCBYDBBWQEHUEDT-SEYXRHQNSA-N
MW246.35 g/mol
LogP4.25
Rot. Bonds8

About (Z)-1-(2-methoxyphenyl)non-1-en-3-one

(Z)-1-(2-methoxyphenyl)non-1-en-3-one (PubChem CID 92528941) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (Z)-1-(2-methoxyphenyl)non-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(2-methoxyphenyl)non-1-en-3-one
PubChem CID92528941
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(Z)-1-(2-methoxyphenyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C=C\c1ccccc1OC
InChIInChI=1S/C16H22O2/c1-3-4-5-6-10-15(17)13-12-14-9-7-8-11-16(14)18-2/h7-9,11-13H,3-6,10H2,1-2H3/b13-12-
InChIKeyCBYDBBWQEHUEDT-SEYXRHQNSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-methoxyphenyl)oct-1-en-3-one
CID 135037607
(E)-1-(2-methoxyphenyl)hept-1-en-3-one
CID 132991130
(E)-1-(2-hydroxy-3-methoxyphenyl)oct-1-en-3-one
CID 15094917
[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate
CID 92529134
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(E)-N-(heptylcarbamothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 6106605
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
(E)-3-(2-heptoxy-3-methoxyphenyl)prop-2-enoic acid
CID 43471820
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methoxyphenyl)non-1-en-3-one?
The IUPAC name of (Z)-1-(2-methoxyphenyl)non-1-en-3-one (CID 92528941) is (Z)-1-(2-methoxyphenyl)non-1-en-3-one.
What is the SMILES notation for (Z)-1-(2-methoxyphenyl)non-1-en-3-one?
The canonical SMILES for (Z)-1-(2-methoxyphenyl)non-1-en-3-one is CCCCCCC(=O)/C=C\c1ccccc1OC.
What is the InChIKey of (Z)-1-(2-methoxyphenyl)non-1-en-3-one?
The InChIKey is CBYDBBWQEHUEDT-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-4-5-6-10-15(17)13-12-14-9-7-8-11-16(14)18-2/h7-9,11-13H,3-6,10H2,1-2H3/b13-12-.
What are the key properties of (Z)-1-(2-methoxyphenyl)non-1-en-3-one?
(Z)-1-(2-methoxyphenyl)non-1-en-3-one has a molecular weight of 246.35 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methoxyphenyl)non-1-en-3-one is sourced from PubChem (CID 92528941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).