1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene

C22H22O — CID 142340198

IUPAC1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene
SMILESC=C/C=C(\C=C)c1ccc(COCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C22H22O/c1-4-7-21(6-3)22-14-12-20(13-15-22)17-23-16-19-10-8-18(5-2)9-11-19/h4-15H,1-3,16-17H2/b21-7+
InChIKeyOJBKFHIOAICVFO-QPSGOUHRSA-N
MW302.42 g/mol
LogP5.80
Rot. Bonds8

About 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene

1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene (PubChem CID 142340198) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene
PubChem CID142340198
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene
SMILESC=C/C=C(\C=C)c1ccc(COCc2ccc(C=C)cc2)cc1
InChIInChI=1S/C22H22O/c1-4-7-21(6-3)22-14-12-20(13-15-22)17-23-16-19-10-8-18(5-2)9-11-19/h4-15H,1-3,16-17H2/b21-7+
InChIKeyOJBKFHIOAICVFO-QPSGOUHRSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl ether
CID 7657
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
p-Isopropylbenzyl acetate
CID 100990
Benzyl octyl ether
CID 347508
(1,1'-Biphenyl)-4-methanol
CID 19186
Allyl benzyl ether
CID 84542
Benzene, (1-ethoxyethyl)-
CID 18693
Isoamyl benzyl ether
CID 31227
1,4-Bis(Methoxymethyl)Benzene
CID 81239
Bis(1-phenylethyl) ether
CID 62342

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene?
The IUPAC name of 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene (CID 142340198) is 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene?
The canonical SMILES for 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene is C=C/C=C(\C=C)c1ccc(COCc2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene?
The InChIKey is OJBKFHIOAICVFO-QPSGOUHRSA-N. The full InChI is InChI=1S/C22H22O/c1-4-7-21(6-3)22-14-12-20(13-15-22)17-23-16-19-10-8-18(5-2)9-11-19/h4-15H,1-3,16-17H2/b21-7+.
What are the key properties of 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene?
1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene has a molecular weight of 302.42 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene is sourced from PubChem (CID 142340198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).