1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene

C24H26O — CID 70141403

IUPAC1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene
SMILESC=CCC(C=C)c1ccccc1Oc1ccccc1C(C=C)CC=C
InChIInChI=1S/C24H26O/c1-5-13-19(7-3)21-15-9-11-17-23(21)25-24-18-12-10-16-22(24)20(8-4)14-6-2/h5-12,15-20H,1-4,13-14H2
InChIKeyAFAZLBNCAWODMB-UHFFFAOYSA-N
MW330.47 g/mol
LogP7.17
Rot. Bonds10

About 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene

1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene (PubChem CID 70141403) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene.

Molecular Properties

Compound Name1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene
PubChem CID70141403
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene
SMILESC=CCC(C=C)c1ccccc1Oc1ccccc1C(C=C)CC=C
InChIInChI=1S/C24H26O/c1-5-13-19(7-3)21-15-9-11-17-23(21)25-24-18-12-10-16-22(24)20(8-4)14-6-2/h5-12,15-20H,1-4,13-14H2
InChIKeyAFAZLBNCAWODMB-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-hexa-1,5-dien-3-yl]-2-iodobenzene
CID 122229911
1-[2-[2-(1-aminoprop-2-enyl)phenoxy]phenyl]prop-2-en-1-amine
CID 66780613
1-methoxy-2-[(3S)-5-methylhexa-1,5-dien-3-yl]benzene
CID 134966785
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
(1S)-1-(2-ethoxyphenyl)but-3-en-1-amine
CID 171221750
1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
CID 175540729
1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
CID 57082676
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305
(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
CID 10822802
1-bromo-2-[1-[1-(2-bromophenyl)but-3-enoxy]but-3-enyl]benzene
CID 175415864
1-[(3R)-hexa-1,5-dien-3-yl]-4-iodobenzene
CID 122229910
1-chloro-4-[(3R)-hexa-1,5-dien-3-yl]benzene
CID 122229914

Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene?
The IUPAC name of 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene (CID 70141403) is 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene.
What is the SMILES notation for 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene?
The canonical SMILES for 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene is C=CCC(C=C)c1ccccc1Oc1ccccc1C(C=C)CC=C.
What is the InChIKey of 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene?
The InChIKey is AFAZLBNCAWODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-5-13-19(7-3)21-15-9-11-17-23(21)25-24-18-12-10-16-22(24)20(8-4)14-6-2/h5-12,15-20H,1-4,13-14H2.
What are the key properties of 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene?
1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene has a molecular weight of 330.47 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,5-dien-3-yl-2-(2-hexa-1,5-dien-3-ylphenoxy)benzene is sourced from PubChem (CID 70141403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).