(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one

C20H20O3 — CID 68642752

IUPAC(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one
SMILESCOc1cccc(/C=C2/CC(Oc3ccccc3)CCC2=O)c1
InChIInChI=1S/C20H20O3/c1-22-18-9-5-6-15(13-18)12-16-14-19(10-11-20(16)21)23-17-7-3-2-4-8-17/h2-9,12-13,19H,10-11,14H2,1H3/b16-12-
InChIKeyKJDUXGNFOIOXCL-VBKFSLOCSA-N
MW308.38 g/mol
LogP4.28
Rot. Bonds4

About (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one

(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one (PubChem CID 68642752) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one
PubChem CID68642752
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one
SMILESCOc1cccc(/C=C2/CC(Oc3ccccc3)CCC2=O)c1
InChIInChI=1S/C20H20O3/c1-22-18-9-5-6-15(13-18)12-16-14-19(10-11-20(16)21)23-17-7-3-2-4-8-17/h2-9,12-13,19H,10-11,14H2,1H3/b16-12-
InChIKeyKJDUXGNFOIOXCL-VBKFSLOCSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.28
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

5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642958
(2Z)-4-(hydroxymethyl)-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642810
2-[(3-methoxyphenyl)methylidene]-5-thiophen-2-ylcyclohexan-1-one
CID 68643135
2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064982
(5Z)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516823
3-(3-methoxyphenoxy)cyclohexan-1-one
CID 79618587
(2E)-2-[(3-phenoxyphenyl)methylidene]cyclohexan-1-one
CID 68642997
2-[(2-methoxyphenyl)methylidene]-6-[(3-methoxyphenyl)methylidene]-4-methylcyclohexan-1-one
CID 2933904
(2E)-2-benzylidene-5-[(3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 154112357
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
(3E,5E)-1-benzyl-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 2388260

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one?
The IUPAC name of (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one (CID 68642752) is (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one is COc1cccc(/C=C2/CC(Oc3ccccc3)CCC2=O)c1.
What is the InChIKey of (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one?
The InChIKey is KJDUXGNFOIOXCL-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H20O3/c1-22-18-9-5-6-15(13-18)12-16-14-19(10-11-20(16)21)23-17-7-3-2-4-8-17/h2-9,12-13,19H,10-11,14H2,1H3/b16-12-.
What are the key properties of (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one?
(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one has a molecular weight of 308.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one is sourced from PubChem (CID 68642752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).