(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

C21H20O3 — CID 6066357

IUPAC(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESC=CCOc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C21H20O3/c1-3-12-24-18-8-4-15(5-9-18)13-17-7-6-16-14-19(23-2)10-11-20(16)21(17)22/h3-5,8-11,13-14H,1,6-7,12H2,2H3/b17-13-
InChIKeyWFHWCVRLVQRMNJ-LGMDPLHJSA-N
MW320.39 g/mol
LogP4.47
Rot. Bonds5

About (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 6066357) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID6066357
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESC=CCOc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C21H20O3/c1-3-12-24-18-8-4-15(5-9-18)13-17-7-6-16-14-19(23-2)10-11-20(16)21(17)22/h3-5,8-11,13-14H,1,6-7,12H2,2H3/b17-13-
InChIKeyWFHWCVRLVQRMNJ-LGMDPLHJSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
CID 6212947
6-methoxy-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2738104
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoic acid
CID 9447278
(2Z)-6-methoxy-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2054596
6-methoxy-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 756883
(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 9447281
(2E,6E)-2,6-bis[(4-prop-2-enoxyphenyl)methylidene]cyclohexan-1-one
CID 24812852
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
CID 6048945
2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 45028862
2-[(2-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 165342146
CID 11210966
CID 11210966
(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 46945072

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 6066357) is (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is C=CCOc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1.
What is the InChIKey of (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is WFHWCVRLVQRMNJ-LGMDPLHJSA-N. The full InChI is InChI=1S/C21H20O3/c1-3-12-24-18-8-4-15(5-9-18)13-17-7-6-16-14-19(23-2)10-11-20(16)21(17)22/h3-5,8-11,13-14H,1,6-7,12H2,2H3/b17-13-.
What are the key properties of (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6066357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).