2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene

C14H17F3O — CID 83921455

IUPAC2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene
SMILESC/C=C\C(C)Cc1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C14H17F3O/c1-4-5-10(2)8-11-6-7-12(14(15,16)17)9-13(11)18-3/h4-7,9-10H,8H2,1-3H3/b5-4-
InChIKeyRXUORSHUAGZTSV-PLNGDYQASA-N
MW258.28 g/mol
LogP4.47
Rot. Bonds4

About 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene

2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene (PubChem CID 83921455) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene
PubChem CID83921455
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene
SMILESC/C=C\C(C)Cc1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C14H17F3O/c1-4-5-10(2)8-11-6-7-12(14(15,16)17)9-13(11)18-3/h4-7,9-10H,8H2,1-3H3/b5-4-
InChIKeyRXUORSHUAGZTSV-PLNGDYQASA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.47
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-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol
CID 83921421
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-3-methyloxirane
CID 83921462
4-[2-methoxy-4-(trifluoromethyl)phenyl]butanethioamide
CID 83921419
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83931670
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
3-(4-bromo-2-methoxyphenyl)-2-methylpropanal
CID 91884164

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene (CID 83921455) is 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene is C/C=C\C(C)Cc1ccc(C(F)(F)F)cc1OC.
What is the InChIKey of 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene?
The InChIKey is RXUORSHUAGZTSV-PLNGDYQASA-N. The full InChI is InChI=1S/C14H17F3O/c1-4-5-10(2)8-11-6-7-12(14(15,16)17)9-13(11)18-3/h4-7,9-10H,8H2,1-3H3/b5-4-.
What are the key properties of 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene?
2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene has a molecular weight of 258.28 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 83921455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).