2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol

C16H16ClFO2 — CID 61099366

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H16ClFO2/c1-2-20-12-8-6-11(7-9-12)16(19)10-13-14(17)4-3-5-15(13)18/h3-9,16,19H,2,10H2,1H3
InChIKeyVXKLUDNZYLMSPP-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.15
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol (PubChem CID 61099366) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
PubChem CID61099366
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H16ClFO2/c1-2-20-12-8-6-11(7-9-12)16(19)10-13-14(17)4-3-5-15(13)18/h3-9,16,19H,2,10H2,1H3
InChIKeyVXKLUDNZYLMSPP-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114982296
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol (CID 61099366) is 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol is CCOc1ccc(C(O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
The InChIKey is VXKLUDNZYLMSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-2-20-12-8-6-11(7-9-12)16(19)10-13-14(17)4-3-5-15(13)18/h3-9,16,19H,2,10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol is sourced from PubChem (CID 61099366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).