2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene

C16H16F2O2 — CID 90128765

IUPAC2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
SMILESCOCCc1ccc(-c2ccc(OC)cc2)c(F)c1F
InChIInChI=1S/C16H16F2O2/c1-19-10-9-12-5-8-14(16(18)15(12)17)11-3-6-13(20-2)7-4-11/h3-8H,9-10H2,1-2H3
InChIKeyRVPKLHJQHOTFSN-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.83
Rot. Bonds5

About 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene

2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene (PubChem CID 90128765) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
PubChem CID90128765
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
SMILESCOCCc1ccc(-c2ccc(OC)cc2)c(F)c1F
InChIInChI=1S/C16H16F2O2/c1-19-10-9-12-5-8-14(16(18)15(12)17)11-3-6-13(20-2)7-4-11/h3-8H,9-10H2,1-2H3
InChIKeyRVPKLHJQHOTFSN-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
1-butyl-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436412
1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 70946204
1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene
CID 159551358
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946168
2-[4-[4-[[2,3-difluoro-4-(4-methoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorophenyl]oxirane
CID 88963639
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
CID 163764553
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene
CID 54385992

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene (CID 90128765) is 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene is COCCc1ccc(-c2ccc(OC)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene?
The InChIKey is RVPKLHJQHOTFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-19-10-9-12-5-8-14(16(18)15(12)17)11-3-6-13(20-2)7-4-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene?
2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene has a molecular weight of 278.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 90128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).