(4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one

C16H18O3 — CID 143872920

IUPAC(4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one
SMILESC=C(/C=C\C(=C)OC)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H18O3/c1-12(5-6-13(2)18-3)11-16(17)14-7-9-15(19-4)10-8-14/h5-10H,1-2,11H2,3-4H3/b6-5-
InChIKeyFJKZQEWZLJLVJV-WAYWQWQTSA-N
MW258.32 g/mol
LogP3.54
Rot. Bonds7

About (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one

(4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one (PubChem CID 143872920) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one.

Molecular Properties

Compound Name(4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one
PubChem CID143872920
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one
SMILESC=C(/C=C\C(=C)OC)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H18O3/c1-12(5-6-13(2)18-3)11-16(17)14-7-9-15(19-4)10-8-14/h5-10H,1-2,11H2,3-4H3/b6-5-
InChIKeyFJKZQEWZLJLVJV-WAYWQWQTSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 16751964
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CID 18428800
1,5-bis(4-methoxyphenyl)-3-methylsulfanylpent-2-ene-1,5-dione
CID 1037208
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 2825443
3-(4-iodoanilino)-1-(4-methoxyphenyl)but-3-en-1-one
CID 2290920
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1-(1-iodocyclopentyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 66927092
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one?
The IUPAC name of (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one (CID 143872920) is (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one.
What is the SMILES notation for (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one?
The canonical SMILES for (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one is C=C(/C=C\C(=C)OC)CC(=O)c1ccc(OC)cc1.
What is the InChIKey of (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one?
The InChIKey is FJKZQEWZLJLVJV-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H18O3/c1-12(5-6-13(2)18-3)11-16(17)14-7-9-15(19-4)10-8-14/h5-10H,1-2,11H2,3-4H3/b6-5-.
What are the key properties of (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one?
(4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-methoxy-1-(4-methoxyphenyl)-3-methylidenehepta-4,6-dien-1-one is sourced from PubChem (CID 143872920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).