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

C27H30O — CID 70568043

IUPAC[oct-1-en-4-yloxy(diphenyl)methyl]benzene
SMILESC=CCC(CCCC)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O/c1-3-5-22-26(15-4-2)28-27(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h4,6-14,16-21,26H,2-3,5,15,22H2,1H3
InChIKeyATMOKOUDVDXWMQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.13
Rot. Bonds10

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

[oct-1-en-4-yloxy(diphenyl)methyl]benzene (PubChem CID 70568043) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is [oct-1-en-4-yloxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[oct-1-en-4-yloxy(diphenyl)methyl]benzene
PubChem CID70568043
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name[oct-1-en-4-yloxy(diphenyl)methyl]benzene
SMILESC=CCC(CCCC)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O/c1-3-5-22-26(15-4-2)28-27(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h4,6-14,16-21,26H,2-3,5,15,22H2,1H3
InChIKeyATMOKOUDVDXWMQ-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-iodohept-1-en-4-yloxy(diphenyl)methyl]benzene
CID 54442011
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
CID 175241821
oct-1-en-4-ylbenzene
CID 22247233
oct-1-en-4-yl formate
CID 87501677
(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
CID 100992819
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
CID 178116138
2-trityloxypropane-1,3-diol
CID 174565269
[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
1,1,1-triphenylhexan-2-amine
CID 164823082
2-tridec-1-en-4-yloxyisoindole-1,3-dione
CID 72701710
4-methoxynon-1-ene
CID 13284925
[(4R)-pentadec-1-en-4-yl] (2R)-2-acetyloxy-2-phenylacetate
CID 10001182

Frequently Asked Questions

What is the IUPAC name of [oct-1-en-4-yloxy(diphenyl)methyl]benzene?
The IUPAC name of [oct-1-en-4-yloxy(diphenyl)methyl]benzene (CID 70568043) is [oct-1-en-4-yloxy(diphenyl)methyl]benzene.
What is the SMILES notation for [oct-1-en-4-yloxy(diphenyl)methyl]benzene?
The canonical SMILES for [oct-1-en-4-yloxy(diphenyl)methyl]benzene is C=CCC(CCCC)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [oct-1-en-4-yloxy(diphenyl)methyl]benzene?
The InChIKey is ATMOKOUDVDXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-3-5-22-26(15-4-2)28-27(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h4,6-14,16-21,26H,2-3,5,15,22H2,1H3.
What are the key properties of [oct-1-en-4-yloxy(diphenyl)methyl]benzene?
[oct-1-en-4-yloxy(diphenyl)methyl]benzene has a molecular weight of 370.54 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [oct-1-en-4-yloxy(diphenyl)methyl]benzene is sourced from PubChem (CID 70568043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).