1,4-bis(1-ethenoxy-1-phenylethyl)benzene

C26H26O2 — CID 22935837

IUPAC1,4-bis(1-ethenoxy-1-phenylethyl)benzene
SMILESC=COC(C)(c1ccccc1)c1ccc(C(C)(OC=C)c2ccccc2)cc1
InChIInChI=1S/C26H26O2/c1-5-27-25(3,21-13-9-7-10-14-21)23-17-19-24(20-18-23)26(4,28-6-2)22-15-11-8-12-16-22/h5-20H,1-2H2,3-4H3
InChIKeyNDDISBQLBUSTRD-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.53
Rot. Bonds8

About 1,4-bis(1-ethenoxy-1-phenylethyl)benzene

1,4-bis(1-ethenoxy-1-phenylethyl)benzene (PubChem CID 22935837) has the molecular formula C26H26O2 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1,4-bis(1-ethenoxy-1-phenylethyl)benzene.

Molecular Properties

Compound Name1,4-bis(1-ethenoxy-1-phenylethyl)benzene
PubChem CID22935837
Molecular FormulaC26H26O2
Molecular Weight370.49 g/mol
Exact Mass370.19
IUPAC Name1,4-bis(1-ethenoxy-1-phenylethyl)benzene
SMILESC=COC(C)(c1ccccc1)c1ccc(C(C)(OC=C)c2ccccc2)cc1
InChIInChI=1S/C26H26O2/c1-5-27-25(3,21-13-9-7-10-14-21)23-17-19-24(20-18-23)26(4,28-6-2)22-15-11-8-12-16-22/h5-20H,1-2H2,3-4H3
InChIKeyNDDISBQLBUSTRD-UHFFFAOYSA-N
XLogP6.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-ethenoxy-2-methylpropane;phenylphosphane
CID 68556774
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951
N-(1,1-diphenylethoxy)methanimine
CID 175230176
(1-ethenoxy-1-ethoxybut-3-enyl)benzene
CID 175202347
ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
CID 66741878
tert-butylbenzene;methanimine
CID 174908280
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1-(1,1-diphenylethoxy)ethanamine
CID 66761557

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-ethenoxy-1-phenylethyl)benzene?
The IUPAC name of 1,4-bis(1-ethenoxy-1-phenylethyl)benzene (CID 22935837) is 1,4-bis(1-ethenoxy-1-phenylethyl)benzene.
What is the SMILES notation for 1,4-bis(1-ethenoxy-1-phenylethyl)benzene?
The canonical SMILES for 1,4-bis(1-ethenoxy-1-phenylethyl)benzene is C=COC(C)(c1ccccc1)c1ccc(C(C)(OC=C)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(1-ethenoxy-1-phenylethyl)benzene?
The InChIKey is NDDISBQLBUSTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O2/c1-5-27-25(3,21-13-9-7-10-14-21)23-17-19-24(20-18-23)26(4,28-6-2)22-15-11-8-12-16-22/h5-20H,1-2H2,3-4H3.
What are the key properties of 1,4-bis(1-ethenoxy-1-phenylethyl)benzene?
1,4-bis(1-ethenoxy-1-phenylethyl)benzene has a molecular weight of 370.49 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-ethenoxy-1-phenylethyl)benzene is sourced from PubChem (CID 22935837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).