1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene

C24H28O2 — CID 143671563

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
SMILESC=C/C=C(\C=C/C)Oc1ccc(C(C)(CC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28O2/c1-6-9-22(10-7-2)26-23-17-13-20(14-18-23)24(4,8-3)19-11-15-21(25-5)16-12-19/h6-7,9-18H,1,8H2,2-5H3/b10-7-,22-9+
InChIKeyDLCHCXGJSIDUTK-OYRMVVPWSA-N
MW348.49 g/mol
LogP6.44
Rot. Bonds8

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene (PubChem CID 143671563) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
PubChem CID143671563
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
SMILESC=C/C=C(\C=C/C)Oc1ccc(C(C)(CC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28O2/c1-6-9-22(10-7-2)26-23-17-13-20(14-18-23)24(4,8-3)19-11-15-21(25-5)16-12-19/h6-7,9-18H,1,8H2,2-5H3/b10-7-,22-9+
InChIKeyDLCHCXGJSIDUTK-OYRMVVPWSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]ethanone
CID 139496919
ethyl 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxybenzoate
CID 143301485
1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-4-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]propan-2-yl]benzene
CID 142614427
1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
CID 145118363
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
CID 143523190
(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
CID 144938327
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
3-O-[4-[2-[4-(4-acetylbenzoyl)oxyphenyl]butan-2-yl]phenyl] 1-O-[4-[2-(4-methoxyphenyl)butan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 59832617
2-(4-methoxyphenyl)butan-2-ol
CID 10307904

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene (CID 143671563) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene is C=C/C=C(\C=C/C)Oc1ccc(C(C)(CC)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene?
The InChIKey is DLCHCXGJSIDUTK-OYRMVVPWSA-N. The full InChI is InChI=1S/C24H28O2/c1-6-9-22(10-7-2)26-23-17-13-20(14-18-23)24(4,8-3)19-11-15-21(25-5)16-12-19/h6-7,9-18H,1,8H2,2-5H3/b10-7-,22-9+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene has a molecular weight of 348.49 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene is sourced from PubChem (CID 143671563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).