1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene

C18H17F3O3 — CID 132533219

IUPAC1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene
SMILESCOc1cc(/C(=C/C(F)(F)F)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H17F3O3/c1-22-15-9-13(10-16(23-2)17(15)24-3)14(11-18(19,20)21)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-11+
InChIKeyJIJGWVMRAGNOLU-SDNWHVSQSA-N
MW338.33 g/mol
LogP4.71
Rot. Bonds5

About 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene

1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene (PubChem CID 132533219) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene
PubChem CID132533219
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene
SMILESCOc1cc(/C(=C/C(F)(F)F)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H17F3O3/c1-22-15-9-13(10-16(23-2)17(15)24-3)14(11-18(19,20)21)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-11+
InChIKeyJIJGWVMRAGNOLU-SDNWHVSQSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine
CID 71424939
6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one
CID 176892937
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
(E)-3-(4-methoxyphenyl)-2-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 46226736
[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 5120394
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760
2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 7066795

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene (CID 132533219) is 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene is COc1cc(/C(=C/C(F)(F)F)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene?
The InChIKey is JIJGWVMRAGNOLU-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-22-15-9-13(10-16(23-2)17(15)24-3)14(11-18(19,20)21)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-11+.
What are the key properties of 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene?
1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene has a molecular weight of 338.33 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene is sourced from PubChem (CID 132533219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).