2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one

C15H18O2 — CID 68643092

IUPAC2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
SMILESCCOc1ccc(C=C2CCCCC2=O)cc1
InChIInChI=1S/C15H18O2/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16/h7-11H,2-6H2,1H3
InChIKeyGFBYUDZBJMXQTC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.61
Rot. Bonds3

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

2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one (PubChem CID 68643092) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
PubChem CID68643092
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
SMILESCCOc1ccc(C=C2CCCCC2=O)cc1
InChIInChI=1S/C15H18O2/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16/h7-11H,2-6H2,1H3
InChIKeyGFBYUDZBJMXQTC-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[(4-ethoxyphenyl)methylidene]cyclohexan-1-one
CID 5183366
(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
CID 122707370
(2Z)-2-[(4-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one
CID 68642964
2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one
CID 5189711
2-[(4-ethoxyanilino)methylidene]cyclopentan-1-one
CID 3557517
(2E,6E)-2,6-bis[(4-ethoxyphenyl)methylidene]-4-methylcyclohexan-1-one
CID 7064602
(3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one
CID 2382708
2-[(3-butoxyphenyl)methylidene]cyclohexan-1-one
CID 68643107
2-[(4-tert-butylphenyl)methylidene]cyclohexan-1-one
CID 72644283
(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 6450877
2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one
CID 68642854
(3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
CID 2382709

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one (CID 68643092) is 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one is CCOc1ccc(C=C2CCCCC2=O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one?
The InChIKey is GFBYUDZBJMXQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16/h7-11H,2-6H2,1H3.
What are the key properties of 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one?
2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68643092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).