1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene

C29H32O3 — CID 154202721

IUPAC1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(C)=CC=C(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C29H32O3/c1-5-30-26-15-9-23(10-16-26)22(4)8-21-29(24-11-17-27(18-12-24)31-6-2)25-13-19-28(20-14-25)32-7-3/h8-21H,5-7H2,1-4H3
InChIKeyZVHLNFHDJUQTGG-UHFFFAOYSA-N
MW428.57 g/mol
LogP7.42
Rot. Bonds10

About 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene

1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene (PubChem CID 154202721) has the molecular formula C29H32O3 and a molecular weight of 428.57 g/mol. Its IUPAC name is 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene
PubChem CID154202721
Molecular FormulaC29H32O3
Molecular Weight428.57 g/mol
Exact Mass428.24
IUPAC Name1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(C)=CC=C(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C29H32O3/c1-5-30-26-15-9-23(10-16-26)22(4)8-21-29(24-11-17-27(18-12-24)31-6-2)25-13-19-28(20-14-25)32-7-3/h8-21H,5-7H2,1-4H3
InChIKeyZVHLNFHDJUQTGG-UHFFFAOYSA-N
XLogP7.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]benzene
CID 142927159
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
ethane;(3Z)-4-(4-ethoxyphenyl)buta-1,3-diene-1,1,4-triamine
CID 178030226
1-but-1-en-2-yl-4-ethoxybenzene
CID 129179740
1-(4-ethoxyphenyl)ethenamine
CID 129289710
5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 141194632
1-[(1E)-1-(4-ethoxyphenyl)buta-1,3-dienyl]-4-methoxy-2-methylbenzene
CID 88650396
(1E,5E)-1,6-bis(4-ethoxyphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
CID 20834174
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene?
The IUPAC name of 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene (CID 154202721) is 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene.
What is the SMILES notation for 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene?
The canonical SMILES for 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene is CCOc1ccc(C(C)=CC=C(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene?
The InChIKey is ZVHLNFHDJUQTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O3/c1-5-30-26-15-9-23(10-16-26)22(4)8-21-29(24-11-17-27(18-12-24)31-6-2)25-13-19-28(20-14-25)32-7-3/h8-21H,5-7H2,1-4H3.
What are the key properties of 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene?
1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene has a molecular weight of 428.57 g/mol, XLogP of 7.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-bis(4-ethoxyphenyl)penta-1,3-dienyl]-4-ethoxybenzene is sourced from PubChem (CID 154202721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).