[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene

C26H27IO — CID 54442011

IUPAC[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene
SMILESCCCC(CC=CI)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27IO/c1-2-13-25(20-12-21-27)28-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-12,14-19,21,25H,2,13,20H2,1H3
InChIKeyWOTWSQRSSPEYHH-UHFFFAOYSA-N
MW482.41 g/mol
LogP7.50
Rot. Bonds9

About [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene

[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene (PubChem CID 54442011) has the molecular formula C26H27IO and a molecular weight of 482.41 g/mol. Its IUPAC name is [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene
PubChem CID54442011
Molecular FormulaC26H27IO
Molecular Weight482.41 g/mol
Exact Mass482.11
IUPAC Name[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene
SMILESCCCC(CC=CI)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27IO/c1-2-13-25(20-12-21-27)28-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-12,14-19,21,25H,2,13,20H2,1H3
InChIKeyWOTWSQRSSPEYHH-UHFFFAOYSA-N
XLogP7.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
2-trityloxypropane-1,3-diol
CID 174565269
lithium [[(5Z)-octa-1,5-dien-3-yl]oxy-diphenylmethyl]benzene
CID 88823326
(2S)-2-trityloxypropanal
CID 11834057
tert-butyl-[(1Z,4S,6E)-7-chloro-1-iodoocta-1,6-dien-4-yl]oxy-diphenylsilane
CID 58139537
[[3-iodo-1-(4-methylcyclohexyl)prop-2-enoxy]-diphenylmethyl]benzene
CID 54522785
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
(2-phenyl-3-propylhexan-2-yl)benzene
CID 139749619
3-methyl-2-phenylhexan-2-amine
CID 107892285
2-hex-1-enoxy-3-trityloxypropan-1-ol
CID 90954826
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770
1-trityloxyoctadecan-2-ol
CID 10436974

Frequently Asked Questions

What is the IUPAC name of [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene?
The IUPAC name of [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene (CID 54442011) is [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene.
What is the SMILES notation for [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene?
The canonical SMILES for [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene is CCCC(CC=CI)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene?
The InChIKey is WOTWSQRSSPEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27IO/c1-2-13-25(20-12-21-27)28-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-12,14-19,21,25H,2,13,20H2,1H3.
What are the key properties of [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene?
[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene has a molecular weight of 482.41 g/mol, XLogP of 7.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene is sourced from PubChem (CID 54442011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).