2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol

C17H18F2O — CID 62800447

IUPAC2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O/c1-2-3-12-4-6-14(7-5-12)17(20)10-13-8-15(18)11-16(19)9-13/h4-9,11,17,20H,2-3,10H2,1H3
InChIKeyAFPPCHUDUSVCDU-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.19
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol

2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol (PubChem CID 62800447) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
PubChem CID62800447
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O/c1-2-3-12-4-6-14(7-5-12)17(20)10-13-8-15(18)11-16(19)9-13/h4-9,11,17,20H,2-3,10H2,1H3
InChIKeyAFPPCHUDUSVCDU-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluorophenyl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 105402605
(4-propylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 65100284
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-propylbenzene
CID 63440508
2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
CID 82007292
1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
CID 105405774
1-fluoro-4-propylbenzene
CID 2737505
1-(3,5-difluorophenyl)hexane-2,3-diol
CID 103454783

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol (CID 62800447) is 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol?
The InChIKey is AFPPCHUDUSVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-2-3-12-4-6-14(7-5-12)17(20)10-13-8-15(18)11-16(19)9-13/h4-9,11,17,20H,2-3,10H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol?
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol has a molecular weight of 276.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 62800447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).