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

C27H28O2 — CID 142614427

IUPAC1-[(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
SMILESC=C/C=C(\C=C)Oc1ccc(C(C)(C)c2ccc(O/C(C=C)=C/C=C)cc2)cc1
InChIInChI=1S/C27H28O2/c1-7-11-23(9-3)28-25-17-13-21(14-18-25)27(5,6)22-15-19-26(20-16-22)29-24(10-4)12-8-2/h7-20H,1-4H2,5-6H3/b23-11+,24-12+
InChIKeyCFUYIJZHZHDZSN-ASIDMNOUSA-N
MW384.52 g/mol
LogP7.28
Rot. Bonds10

About 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

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 (PubChem CID 142614427) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID142614427
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name1-[(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
SMILESC=C/C=C(\C=C)Oc1ccc(C(C)(C)c2ccc(O/C(C=C)=C/C=C)cc2)cc1
InChIInChI=1S/C27H28O2/c1-7-11-23(9-3)28-25-17-13-21(14-18-25)27(5,6)22-15-19-26(20-16-22)29-24(10-4)12-8-2/h7-20H,1-4H2,5-6H3/b23-11+,24-12+
InChIKeyCFUYIJZHZHDZSN-ASIDMNOUSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 57.28
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'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 144940147
hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol
CID 170755983
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
CID 143671563
1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene
CID 143570219
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021
2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide
CID 142029496
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564
4-methyl-4-[4-[2-[4-(2-methyl-3-oxopent-4-en-2-yl)oxyphenyl]propan-2-yl]phenoxy]pent-1-en-3-one
CID 141088835
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
tris[4-[2-[4-(prop-2-enoylamino)phenyl]propan-2-yl]phenyl] phosphate
CID 91029809
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-(methoxymethyl)benzene
CID 143729565

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(\C=C)Oc1ccc(C(C)(C)c2ccc(O/C(C=C)=C/C=C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is CFUYIJZHZHDZSN-ASIDMNOUSA-N. The full InChI is InChI=1S/C27H28O2/c1-7-11-23(9-3)28-25-17-13-21(14-18-25)27(5,6)22-15-19-26(20-16-22)29-24(10-4)12-8-2/h7-20H,1-4H2,5-6H3/b23-11+,24-12+.
What are the key properties of 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?
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 has a molecular weight of 384.52 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142614427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).