1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene

C19H22O — CID 139631745

IUPAC1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
SMILESC=C(C)COc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-15(2)14-20-18-12-10-17(11-13-18)19(3,4)16-8-6-5-7-9-16/h5-13H,1,14H2,2-4H3
InChIKeyQSAUSDQTRDORAV-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.97
Rot. Bonds5

About 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene

1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene (PubChem CID 139631745) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
PubChem CID139631745
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
SMILESC=C(C)COc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-15(2)14-20-18-12-10-17(11-13-18)19(3,4)16-8-6-5-7-9-16/h5-13H,1,14H2,2-4H3
InChIKeyQSAUSDQTRDORAV-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.97
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-(2-methylprop-2-enoxy)ethoxy]-4-[2-[4-[2-(2-methylprop-2-enoxy)ethoxy]phenyl]propan-2-yl]benzene
CID 21116627
2-methylidene-5-[4-(2-phenylpropan-2-yl)phenoxy]pentanoic acid
CID 66823070
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 138664730
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 17123750
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604
ethane-1,2-diol;1-ethenoxy-4-(2-phenylpropan-2-yl)benzene
CID 66741878
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene?
The IUPAC name of 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene (CID 139631745) is 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene?
The canonical SMILES for 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene is C=C(C)COc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene?
The InChIKey is QSAUSDQTRDORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-15(2)14-20-18-12-10-17(11-13-18)19(3,4)16-8-6-5-7-9-16/h5-13H,1,14H2,2-4H3.
What are the key properties of 1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene?
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene has a molecular weight of 266.38 g/mol, XLogP of 4.97, 5 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)-4-(2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 139631745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).