[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene

C25H26O — CID 178116138

IUPAC[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
SMILESC=CC[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O/c1-3-13-21(2)20-26-25(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h3-12,14-19,21H,1,13,20H2,2H3/t21-/m0/s1
InChIKeyDAWDQBRTUABFTP-NRFANRHFSA-N
MW342.48 g/mol
LogP6.21
Rot. Bonds8

About [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene

[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene (PubChem CID 178116138) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
PubChem CID178116138
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
SMILESC=CC[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O/c1-3-13-21(2)20-26-25(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h3-12,14-19,21H,1,13,20H2,2H3/t21-/m0/s1
InChIKeyDAWDQBRTUABFTP-NRFANRHFSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.21
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

(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
CID 45033911
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(trityloxymethyl)pent-4-en-1-ol
CID 23657649
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
[[(2S,4R)-5-(benzenesulfonyl)-2,4-dimethylpentoxy]-diphenylmethyl]benzene
CID 175678427
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
1-(2-methylpent-4-enoxy)pyridine-2-thione
CID 10584540

Frequently Asked Questions

What is the IUPAC name of [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene?
The IUPAC name of [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene (CID 178116138) is [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene.
What is the SMILES notation for [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene?
The canonical SMILES for [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene is C=CC[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene?
The InChIKey is DAWDQBRTUABFTP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26O/c1-3-13-21(2)20-26-25(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h3-12,14-19,21H,1,13,20H2,2H3/t21-/m0/s1.
What are the key properties of [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene?
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene has a molecular weight of 342.48 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene is sourced from PubChem (CID 178116138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).