1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene

C13H15F3O2 — CID 151367151

IUPAC1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene
SMILESC=C(C)c1cc(OC(C)C)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c1-8(2)10-5-11(17-9(3)4)7-12(6-10)18-13(14,15)16/h5-7,9H,1H2,2-4H3
InChIKeyOPRCJZNOBCEGCH-UHFFFAOYSA-N
MW260.25 g/mol
LogP4.41
Rot. Bonds4

About 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene

1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene (PubChem CID 151367151) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene
PubChem CID151367151
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene
SMILESC=C(C)c1cc(OC(C)C)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c1-8(2)10-5-11(17-9(3)4)7-12(6-10)18-13(14,15)16/h5-7,9H,1H2,2-4H3
InChIKeyOPRCJZNOBCEGCH-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
CID 142213493
1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene
CID 118269613
3-propan-2-yl-5-(trifluoromethoxy)phenol
CID 170367296
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
CID 164895664
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
1,1,3,3,3-pentafluoro-2-(3-iodo-5-prop-1-en-2-ylphenoxy)propane-1-sulfonic acid
CID 170225284
3-(1-methoxyethenyl)-5-propan-2-yloxyphenol
CID 67489284
1-[3-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134622513
(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine
CID 142197561
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene (CID 151367151) is 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene is C=C(C)c1cc(OC(C)C)cc(OC(F)(F)F)c1.
What is the InChIKey of 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene?
The InChIKey is OPRCJZNOBCEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-8(2)10-5-11(17-9(3)4)7-12(6-10)18-13(14,15)16/h5-7,9H,1H2,2-4H3.
What are the key properties of 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene?
1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene has a molecular weight of 260.25 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 151367151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).