4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one

C16H20O3 — CID 68642829

IUPAC4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one
SMILESCOCC1CCC(=O)C(=Cc2ccccc2OC)C1
InChIInChI=1S/C16H20O3/c1-18-11-12-7-8-15(17)14(9-12)10-13-5-3-4-6-16(13)19-2/h3-6,10,12H,7-9,11H2,1-2H3
InChIKeyIUZBPWBUWUYMTF-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.09
Rot. Bonds4

About 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one

4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one (PubChem CID 68642829) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one
PubChem CID68642829
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one
SMILESCOCC1CCC(=O)C(=Cc2ccccc2OC)C1
InChIInChI=1S/C16H20O3/c1-18-11-12-7-8-15(17)14(9-12)10-13-5-3-4-6-16(13)19-2/h3-6,10,12H,7-9,11H2,1-2H3
InChIKeyIUZBPWBUWUYMTF-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one (CID 68642829) is 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one is COCC1CCC(=O)C(=Cc2ccccc2OC)C1.
What is the InChIKey of 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one?
The InChIKey is IUZBPWBUWUYMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-18-11-12-7-8-15(17)14(9-12)10-13-5-3-4-6-16(13)19-2/h3-6,10,12H,7-9,11H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one?
4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one has a molecular weight of 260.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68642829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).