2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol

C17H18F2O2 — CID 115833036

IUPAC2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C17H18F2O2/c1-2-10-21-17-9-4-3-6-12(17)16(20)11-13-14(18)7-5-8-15(13)19/h3-9,16,20H,2,10-11H2,1H3
InChIKeyWPIIQNHHGWMPLU-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.03
Rot. Bonds6

About 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol

2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol (PubChem CID 115833036) has the molecular formula C17H18F2O2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol
PubChem CID115833036
Molecular FormulaC17H18F2O2
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol
SMILESCCCOc1ccccc1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C17H18F2O2/c1-2-10-21-17-9-4-3-6-12(17)16(20)11-13-14(18)7-5-8-15(13)19/h3-9,16,20H,2,10-11H2,1H3
InChIKeyWPIIQNHHGWMPLU-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-(2-propoxyphenyl)ethanol
CID 104659511
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658590
1-(2-propoxyphenyl)ethanol
CID 43503976
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051325
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol (CID 115833036) is 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol is CCCOc1ccccc1C(O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol?
The InChIKey is WPIIQNHHGWMPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-10-21-17-9-4-3-6-12(17)16(20)11-13-14(18)7-5-8-15(13)19/h3-9,16,20H,2,10-11H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol?
2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol has a molecular weight of 292.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol is sourced from PubChem (CID 115833036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).