1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene

C21H24O2 — CID 121396887

IUPAC1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
SMILESC=CCOc1ccccc1C(C)(C)c1ccccc1OCC=C
InChIInChI=1S/C21H24O2/c1-5-15-22-19-13-9-7-11-17(19)21(3,4)18-12-8-10-14-20(18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
InChIKeyNTUAAYUVGPCSRP-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.14
Rot. Bonds8

About 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene

1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene (PubChem CID 121396887) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
PubChem CID121396887
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
SMILESC=CCOc1ccccc1C(C)(C)c1ccccc1OCC=C
InChIInChI=1S/C21H24O2/c1-5-15-22-19-13-9-7-11-17(19)21(3,4)18-12-8-10-14-20(18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
InChIKeyNTUAAYUVGPCSRP-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
2-tert-butyl-1-methyl-3-prop-2-enoxybenzene
CID 146377122
CID 54342981
CID 54342981
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
1-prop-1-enoxy-2-prop-2-enoxybenzene
CID 57352619
2-prop-2-enoxybenzenesulfonamide
CID 13321757
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene (CID 121396887) is 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene is C=CCOc1ccccc1C(C)(C)c1ccccc1OCC=C.
What is the InChIKey of 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene?
The InChIKey is NTUAAYUVGPCSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-5-15-22-19-13-9-7-11-17(19)21(3,4)18-12-8-10-14-20(18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3.
What are the key properties of 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene?
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene has a molecular weight of 308.42 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 121396887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).