1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene

C17H18F2O2 — CID 19436101

IUPAC1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
SMILESCCOc1ccc(CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H18F2O2/c1-2-20-15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21-17(18)19/h5-12,17H,2-4H2,1H3
InChIKeySFIQIHNCCPBRRZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.47
Rot. Bonds7

About 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene

1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene (PubChem CID 19436101) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
PubChem CID19436101
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
SMILESCCOc1ccc(CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H18F2O2/c1-2-20-15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21-17(18)19/h5-12,17H,2-4H2,1H3
InChIKeySFIQIHNCCPBRRZ-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
3-[4-(difluoromethoxy)phenyl]-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 78848378
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene (CID 19436101) is 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene is CCOc1ccc(CCc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene?
The InChIKey is SFIQIHNCCPBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-20-15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)21-17(18)19/h5-12,17H,2-4H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene?
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene has a molecular weight of 292.33 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene is sourced from PubChem (CID 19436101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).