(4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone

C28H26O3 — CID 126710319

IUPAC(4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone
SMILESC=C/C=C(\C=C/Cc1ccc(C)cc1)Oc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26O3/c1-4-6-26(8-5-7-22-11-9-21(2)10-12-22)31-27-19-15-24(16-20-27)28(29)23-13-17-25(30-3)18-14-23/h4-6,8-20H,1,7H2,2-3H3/b8-5-,26-6+
InChIKeyPIWJBVQDJXJVLY-CBSHTSOGSA-N
MW410.51 g/mol
LogP6.48
Rot. Bonds9

About (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone

(4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone (PubChem CID 126710319) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone
PubChem CID126710319
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name(4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone
SMILESC=C/C=C(\C=C/Cc1ccc(C)cc1)Oc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26O3/c1-4-6-26(8-5-7-22-11-9-21(2)10-12-22)31-27-19-15-24(16-20-27)28(29)23-13-17-25(30-3)18-14-23/h4-6,8-20H,1,7H2,2-3H3/b8-5-,26-6+
InChIKeyPIWJBVQDJXJVLY-CBSHTSOGSA-N
XLogP6.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.48
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

1-methyl-4-[4-[(2Z,4E)-4-(4-methylphenoxy)hepta-2,4,6-trienyl]phenoxy]benzene
CID 142908049
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]ethanone
CID 139496919
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
ethyl 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxybenzoate
CID 143301485
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone (CID 126710319) is (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone is C=C/C=C(\C=C/Cc1ccc(C)cc1)Oc1ccc(C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone?
The InChIKey is PIWJBVQDJXJVLY-CBSHTSOGSA-N. The full InChI is InChI=1S/C28H26O3/c1-4-6-26(8-5-7-22-11-9-21(2)10-12-22)31-27-19-15-24(16-20-27)28(29)23-13-17-25(30-3)18-14-23/h4-6,8-20H,1,7H2,2-3H3/b8-5-,26-6+.
What are the key properties of (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone?
(4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone has a molecular weight of 410.51 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(3E,5Z)-7-(4-methylphenyl)hepta-1,3,5-trien-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 126710319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).