2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol

C17H16ClFO — CID 114854613

IUPAC2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C17H16ClFO/c18-14-7-6-12(15(19)11-14)10-16(20)17(8-9-17)13-4-2-1-3-5-13/h1-7,11,16,20H,8-10H2
InChIKeyACCQYAGHSBEBMU-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol (PubChem CID 114854613) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
PubChem CID114854613
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C17H16ClFO/c18-14-7-6-12(15(19)11-14)10-16(20)17(8-9-17)13-4-2-1-3-5-13/h1-7,11,16,20H,8-10H2
InChIKeyACCQYAGHSBEBMU-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080039
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-(2,5-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63017736
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene
CID 63543000
2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 63079499
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 55179614
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 131151024
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
2-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65321924

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol (CID 114854613) is 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol is OC(Cc1ccc(Cl)cc1F)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol?
The InChIKey is ACCQYAGHSBEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c18-14-7-6-12(15(19)11-14)10-16(20)17(8-9-17)13-4-2-1-3-5-13/h1-7,11,16,20H,8-10H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol has a molecular weight of 290.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol is sourced from PubChem (CID 114854613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).