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

C16H16F2O2 — CID 19436013

IUPAC1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O2/c1-19-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)20-16(17)18/h4-11,16H,2-3H2,1H3
InChIKeyGYYSQLSHXZCGOL-UHFFFAOYSA-N
MW278.30 g/mol
LogP4.08
Rot. Bonds6

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

1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene (PubChem CID 19436013) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
PubChem CID19436013
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O2/c1-19-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)20-16(17)18/h4-11,16H,2-3H2,1H3
InChIKeyGYYSQLSHXZCGOL-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 138646772
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene (CID 19436013) is 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene is COc1ccc(CCc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is GYYSQLSHXZCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-19-14-8-4-12(5-9-14)2-3-13-6-10-15(11-7-13)20-16(17)18/h4-11,16H,2-3H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene?
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 278.30 g/mol, XLogP of 4.08, 6 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-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 19436013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).