1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol

C16H16ClFO — CID 105393748

IUPAC1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(C)(O)c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H16ClFO/c1-3-11-4-6-12(7-5-11)16(2,19)14-10-13(18)8-9-15(14)17/h4-10,19H,3H2,1-2H3
InChIKeyHPDCMYVISCWERB-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.30
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol

1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol (PubChem CID 105393748) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
PubChem CID105393748
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(C)(O)c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H16ClFO/c1-3-11-4-6-12(7-5-11)16(2,19)14-10-13(18)8-9-15(14)17/h4-10,19H,3H2,1-2H3
InChIKeyHPDCMYVISCWERB-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 105394112
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
3-[1-(2-chloro-5-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 105393988
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
CID 58392419
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
1-(2,3-dichlorophenyl)-1-(4-fluorophenyl)ethanol
CID 55116262
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)ethanol
CID 105394073

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol (CID 105393748) is 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol is CCc1ccc(C(C)(O)c2cc(F)ccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol?
The InChIKey is HPDCMYVISCWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-3-11-4-6-12(7-5-11)16(2,19)14-10-13(18)8-9-15(14)17/h4-10,19H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol?
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol has a molecular weight of 278.75 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol is sourced from PubChem (CID 105393748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).