1-(2-methylprop-2-enoxy)-2-phenylbenzene

C16H16O — CID 70267118

IUPAC1-(2-methylprop-2-enoxy)-2-phenylbenzene
SMILESC=C(C)COc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O/c1-13(2)12-17-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKeyLOPIMAIAYQAVTC-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-methylprop-2-enoxy)-2-phenylbenzene

1-(2-methylprop-2-enoxy)-2-phenylbenzene (PubChem CID 70267118) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)-2-phenylbenzene.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)-2-phenylbenzene
PubChem CID70267118
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-(2-methylprop-2-enoxy)-2-phenylbenzene
SMILESC=C(C)COc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O/c1-13(2)12-17-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKeyLOPIMAIAYQAVTC-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
4-(2-methylprop-2-enoxy)-3-phenylbenzenesulfonyl chloride
CID 82912553
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
3-[2-(2-methylprop-2-enoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117399111
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N'-hydroxy-2-(2-phenylphenoxy)ethanimidamide;hydrochloride
CID 117067574
(4-acetylphenyl) 2-(2-phenylphenoxy)acetate
CID 7741121
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)-2-phenylbenzene?
The IUPAC name of 1-(2-methylprop-2-enoxy)-2-phenylbenzene (CID 70267118) is 1-(2-methylprop-2-enoxy)-2-phenylbenzene.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)-2-phenylbenzene?
The canonical SMILES for 1-(2-methylprop-2-enoxy)-2-phenylbenzene is C=C(C)COc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-methylprop-2-enoxy)-2-phenylbenzene?
The InChIKey is LOPIMAIAYQAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-13(2)12-17-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3.
What are the key properties of 1-(2-methylprop-2-enoxy)-2-phenylbenzene?
1-(2-methylprop-2-enoxy)-2-phenylbenzene has a molecular weight of 224.30 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)-2-phenylbenzene is sourced from PubChem (CID 70267118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).