1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene

C25H23F3O2 — CID 67931633

IUPAC1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
SMILESCOCc1ccc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C25H23F3O2/c1-29-18-20-13-15-21(16-14-20)24(25(26,27)28)12-6-8-19-7-5-11-23(17-19)30-22-9-3-2-4-10-22/h2-5,7,9-17H,6,8,18H2,1H3/b24-12+
InChIKeyMZTKUHDQPJEDHT-WYMPLXKRSA-N
MW412.45 g/mol
LogP7.20
Rot. Bonds8

About 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene

1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene (PubChem CID 67931633) has the molecular formula C25H23F3O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
PubChem CID67931633
Molecular FormulaC25H23F3O2
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
SMILESCOCc1ccc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C25H23F3O2/c1-29-18-20-13-15-21(16-14-20)24(25(26,27)28)12-6-8-19-7-5-11-23(17-19)30-22-9-3-2-4-10-22/h2-5,7,9-17H,6,8,18H2,1H3/b24-12+
InChIKeyMZTKUHDQPJEDHT-WYMPLXKRSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene with MolForge

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Related Compounds

1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
CID 21282190
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene
CID 19753519
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(3,3,3-trifluoro-2-phenylprop-1-enyl)cyclopropane-1-carboxylate
CID 70518731
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-[[3-(4-chlorophenoxy)phenyl]methoxy]-1-fluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
CID 174258672
3-[[3-(4-chlorophenoxy)phenyl]methoxy]-1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-ol
CID 14516963
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
The IUPAC name of 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene (CID 67931633) is 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene.
What is the SMILES notation for 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
The canonical SMILES for 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene is COCc1ccc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1.
What is the InChIKey of 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
The InChIKey is MZTKUHDQPJEDHT-WYMPLXKRSA-N. The full InChI is InChI=1S/C25H23F3O2/c1-29-18-20-13-15-21(16-14-20)24(25(26,27)28)12-6-8-19-7-5-11-23(17-19)30-22-9-3-2-4-10-22/h2-5,7,9-17H,6,8,18H2,1H3/b24-12+.
What are the key properties of 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene has a molecular weight of 412.45 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene is sourced from PubChem (CID 67931633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).