2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol

C18H21FO — CID 105372798

IUPAC2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H21FO/c1-12(2)14-5-7-15(8-6-14)18(20)11-16-10-17(19)9-4-13(16)3/h4-10,12,18,20H,11H2,1-3H3
InChIKeyYURYSLCVXIGKTR-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.53
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol

2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 105372798) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID105372798
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H21FO/c1-12(2)14-5-7-15(8-6-14)18(20)11-16-10-17(19)9-4-13(16)3/h4-10,12,18,20H,11H2,1-3H3
InChIKeyYURYSLCVXIGKTR-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372772
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol (CID 105372798) is 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is YURYSLCVXIGKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-12(2)14-5-7-15(8-6-14)18(20)11-16-10-17(19)9-4-13(16)3/h4-10,12,18,20H,11H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol?
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 272.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 105372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).