2-phenoxyethenylbenzene;1,2-xylene

C22H22O — CID 174396691

IUPAC2-phenoxyethenylbenzene;1,2-xylene
SMILESC(=Cc1ccccc1)Oc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C14H12O.C8H10/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;1-7-5-3-4-6-8(7)2/h1-12H;3-6H,1-2H3
InChIKeyIRWNGDGZFNKELH-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.04
Rot. Bonds3

About 2-phenoxyethenylbenzene;1,2-xylene

2-phenoxyethenylbenzene;1,2-xylene (PubChem CID 174396691) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-phenoxyethenylbenzene;1,2-xylene.

Molecular Properties

Compound Name2-phenoxyethenylbenzene;1,2-xylene
PubChem CID174396691
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-phenoxyethenylbenzene;1,2-xylene
SMILESC(=Cc1ccccc1)Oc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C14H12O.C8H10/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;1-7-5-3-4-6-8(7)2/h1-12H;3-6H,1-2H3
InChIKeyIRWNGDGZFNKELH-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.04
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

1,3-dimethyl-5-(2-phenylethenoxy)benzene
CID 71429052
1-chloro-4-[(E)-2-phenylethenoxy]benzene
CID 101411490
1-chloro-4-[(Z)-2-phenoxyethenyl]benzene
CID 135080417
[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
CID 13355038
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
benzene;1,2-xylene
CID 161464493
[(E)-prop-1-enoxy]benzene;zinc;chloride
CID 101206990
2-phenylethenyl hypochlorite
CID 174846966
1,2-xylene
CID 173422016
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
CID 143684378

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethenylbenzene;1,2-xylene?
The IUPAC name of 2-phenoxyethenylbenzene;1,2-xylene (CID 174396691) is 2-phenoxyethenylbenzene;1,2-xylene.
What is the SMILES notation for 2-phenoxyethenylbenzene;1,2-xylene?
The canonical SMILES for 2-phenoxyethenylbenzene;1,2-xylene is C(=Cc1ccccc1)Oc1ccccc1.Cc1ccccc1C.
What is the InChIKey of 2-phenoxyethenylbenzene;1,2-xylene?
The InChIKey is IRWNGDGZFNKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C8H10/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;1-7-5-3-4-6-8(7)2/h1-12H;3-6H,1-2H3.
What are the key properties of 2-phenoxyethenylbenzene;1,2-xylene?
2-phenoxyethenylbenzene;1,2-xylene has a molecular weight of 302.42 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethenylbenzene;1,2-xylene is sourced from PubChem (CID 174396691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).