5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one

C15H18O3 — CID 68642958

IUPAC5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
SMILESCOc1cccc(C=C2CCC(OC)CC2=O)c1
InChIInChI=1S/C15H18O3/c1-17-13-5-3-4-11(9-13)8-12-6-7-14(18-2)10-15(12)16/h3-5,8-9,14H,6-7,10H2,1-2H3
InChIKeyYORNOZGELXXJPE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds3

About 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one

5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one (PubChem CID 68642958) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
PubChem CID68642958
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
SMILESCOc1cccc(C=C2CCC(OC)CC2=O)c1
InChIInChI=1S/C15H18O3/c1-17-13-5-3-4-11(9-13)8-12-6-7-14(18-2)10-15(12)16/h3-5,8-9,14H,6-7,10H2,1-2H3
InChIKeyYORNOZGELXXJPE-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.85
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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Related Compounds

(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one
CID 68642752
2-[(3-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one
CID 68643135
(2Z)-4-(hydroxymethyl)-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642810
(5Z)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516823
2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064982
2-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;N,N,4-trimethylaniline
CID 174753342
(3Z,5E)-1-(cyclopropylmethyl)-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-4-one
CID 51129084
2-[(2-methoxyphenyl)methylidene]-6-[(3-methoxyphenyl)methylidene]-4-methylcyclohexan-1-one
CID 2933904
(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
CID 68642876
(1R,2E,4E,5R)-2,4-bis[(3-methoxyphenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98185577
(2E,5E)-2-[(3-bromophenyl)methylidene]-5-[(3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 118366091
(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one
CID 22796952

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one (CID 68642958) is 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one is COc1cccc(C=C2CCC(OC)CC2=O)c1.
What is the InChIKey of 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one?
The InChIKey is YORNOZGELXXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-13-5-3-4-11(9-13)8-12-6-7-14(18-2)10-15(12)16/h3-5,8-9,14H,6-7,10H2,1-2H3.
What are the key properties of 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one?
5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68642958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).