1-benzyl-4-ethenoxybenzene

C15H14O — CID 21364304

IUPAC1-benzyl-4-ethenoxybenzene
SMILESC=COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-2-16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h2-11H,1,12H2
InChIKeyHQLATVJVQRBKIP-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.80
Rot. Bonds4

About 1-benzyl-4-ethenoxybenzene

1-benzyl-4-ethenoxybenzene (PubChem CID 21364304) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-benzyl-4-ethenoxybenzene.

Molecular Properties

Compound Name1-benzyl-4-ethenoxybenzene
PubChem CID21364304
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-benzyl-4-ethenoxybenzene
SMILESC=COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-2-16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h2-11H,1,12H2
InChIKeyHQLATVJVQRBKIP-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenoxyphenyl)methanol
CID 11159400
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
phenyl(113C)methylbenzene
CID 11194569
ethenoxybenzene;styrene
CID 158414612
(4-ethenoxyphenyl)methyl-methylsilane
CID 162179936
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
(4-benzylphenoxy)methanamine
CID 67208849
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-ethenoxy-4-(2-methoxyethyl)benzene
CID 66366359
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
(4-benzylphenoxy) thiohypofluorite
CID 178117006

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethenoxybenzene?
The IUPAC name of 1-benzyl-4-ethenoxybenzene (CID 21364304) is 1-benzyl-4-ethenoxybenzene.
What is the SMILES notation for 1-benzyl-4-ethenoxybenzene?
The canonical SMILES for 1-benzyl-4-ethenoxybenzene is C=COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-ethenoxybenzene?
The InChIKey is HQLATVJVQRBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h2-11H,1,12H2.
What are the key properties of 1-benzyl-4-ethenoxybenzene?
1-benzyl-4-ethenoxybenzene has a molecular weight of 210.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethenoxybenzene is sourced from PubChem (CID 21364304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).