1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene

C18H17F3O — CID 154713677

IUPAC1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
SMILESC=C[C@@H](Cc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O/c1-3-14(12-13-4-10-17(22-2)11-5-13)15-6-8-16(9-7-15)18(19,20)21/h3-11,14H,1,12H2,2H3/t14-/m0/s1
InChIKeyZMRKHDUYXNDYRV-AWEZNQCLSA-N
MW306.33 g/mol
LogP5.23
Rot. Bonds5

About 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene

1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene (PubChem CID 154713677) has the molecular formula C18H17F3O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
PubChem CID154713677
Molecular FormulaC18H17F3O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
SMILESC=C[C@@H](Cc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O/c1-3-14(12-13-4-10-17(22-2)11-5-13)15-6-8-16(9-7-15)18(19,20)21/h3-11,14H,1,12H2,2H3/t14-/m0/s1
InChIKeyZMRKHDUYXNDYRV-AWEZNQCLSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 55.23
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

2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 135083889
4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol
CID 143987033
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
CID 71422189
(4-methoxyphenyl)-[2-[(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]phosphanyl]ethyl]-[4-(trifluoromethyl)phenyl]phosphane
CID 101475739
(1R,2R)-N,N'-bis(4-methoxyphenyl)-1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 46223762
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 162612064
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105000583
[4-(iodomethyl)phenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 143507699
[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol
CID 70791591
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene (CID 154713677) is 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene is C=C[C@@H](Cc1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene?
The InChIKey is ZMRKHDUYXNDYRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F3O/c1-3-14(12-13-4-10-17(22-2)11-5-13)15-6-8-16(9-7-15)18(19,20)21/h3-11,14H,1,12H2,2H3/t14-/m0/s1.
What are the key properties of 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene?
1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene has a molecular weight of 306.33 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene is sourced from PubChem (CID 154713677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).