1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene

C29H21F3O — CID 162410354

IUPAC1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene
SMILESFC(F)(F)C1(c2ccc(OCc3ccccc3)cc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H21F3O/c30-29(31,32)28(24-16-18-25(19-17-24)33-20-21-10-4-1-5-11-21)26(22-12-6-2-7-13-22)27(28)23-14-8-3-9-15-23/h1-19H,20H2
InChIKeyLVTHTMNPUWTZLM-UHFFFAOYSA-N
MW442.48 g/mol
LogP7.69
Rot. Bonds6

About 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene

1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene (PubChem CID 162410354) has the molecular formula C29H21F3O and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene
PubChem CID162410354
Molecular FormulaC29H21F3O
Molecular Weight442.48 g/mol
Exact Mass442.15
IUPAC Name1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene
SMILESFC(F)(F)C1(c2ccc(OCc3ccccc3)cc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H21F3O/c30-29(31,32)28(24-16-18-25(19-17-24)33-20-21-10-4-1-5-11-21)26(22-12-6-2-7-13-22)27(28)23-14-8-3-9-15-23/h1-19H,20H2
InChIKeyLVTHTMNPUWTZLM-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Etofenprox
CID 71245
Halfenprox
CID 10140464
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
1-Phenoxy-4-phenylbenzene
CID 77986
Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-
CID 77333
Phenol, 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-
CID 157700
1-(Tert-butyl)-4-((4-iodobenzyl)oxy)benzene
CID 65489139
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
1~4~-Ethyl-3~4~-(trifluoromethoxy)-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 604782
4,4'-Diethoxybiphenyl
CID 617993
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-3,5-difluoro-4'-propyl-1,1'-biphenyl
CID 20654145

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene (CID 162410354) is 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene is FC(F)(F)C1(c2ccc(OCc3ccccc3)cc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene?
The InChIKey is LVTHTMNPUWTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3O/c30-29(31,32)28(24-16-18-25(19-17-24)33-20-21-10-4-1-5-11-21)26(22-12-6-2-7-13-22)27(28)23-14-8-3-9-15-23/h1-19H,20H2.
What are the key properties of 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene?
1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene has a molecular weight of 442.48 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-diphenyl-1-(trifluoromethyl)cycloprop-2-en-1-yl]-4-phenylmethoxybenzene is sourced from PubChem (CID 162410354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).