1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene

C17H15F3O2 — CID 177032535

IUPAC1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene
SMILESC=Cc1ccc(C(F)(F)F)c(OCc2ccccc2)c1OC
InChIInChI=1S/C17H15F3O2/c1-3-13-9-10-14(17(18,19)20)16(15(13)21-2)22-11-12-7-5-4-6-8-12/h3-10H,1,11H2,2H3
InChIKeyKBIRUUMBIOWLEF-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.94
Rot. Bonds5

About 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene

1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene (PubChem CID 177032535) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene
PubChem CID177032535
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene
SMILESC=Cc1ccc(C(F)(F)F)c(OCc2ccccc2)c1OC
InChIInChI=1S/C17H15F3O2/c1-3-13-9-10-14(17(18,19)20)16(15(13)21-2)22-11-12-7-5-4-6-8-12/h3-10H,1,11H2,2H3
InChIKeyKBIRUUMBIOWLEF-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
2-benzylsulfanyl-1,4-bis(ethenyl)-3-phenylmethoxybenzene
CID 139632433
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
1-iodo-2-phenylmethoxy-3,5-bis(trifluoromethyl)benzene
CID 90300169
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
CID 142628301
6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 68584813

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene (CID 177032535) is 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene is C=Cc1ccc(C(F)(F)F)c(OCc2ccccc2)c1OC.
What is the InChIKey of 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene?
The InChIKey is KBIRUUMBIOWLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-3-13-9-10-14(17(18,19)20)16(15(13)21-2)22-11-12-7-5-4-6-8-12/h3-10H,1,11H2,2H3.
What are the key properties of 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene?
1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene has a molecular weight of 308.30 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methoxy-3-phenylmethoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 177032535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).