2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol

C17H18F2O — CID 82819467

IUPAC2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H18F2O/c1-3-17(20,11-13-7-5-4-6-8-13)15-14(18)10-9-12(2)16(15)19/h4-10,20H,3,11H2,1-2H3
InChIKeyQOHMSXXFVZBPHW-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.11
Rot. Bonds4

About 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol

2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol (PubChem CID 82819467) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
PubChem CID82819467
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H18F2O/c1-3-17(20,11-13-7-5-4-6-8-13)15-14(18)10-9-12(2)16(15)19/h4-10,20H,3,11H2,1-2H3
InChIKeyQOHMSXXFVZBPHW-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 ≤ 500276.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
azane;3-benzylpentan-3-ol
CID 173295411
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419
2-benzyl-1-(3-bromo-4-fluorophenyl)butan-2-ol
CID 79007506
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 82819317
2-(1-methylpyrazol-4-yl)-1-phenylbutan-2-ol
CID 79007571
1-phenyl-2-quinolin-8-ylbutan-2-ol
CID 81196654
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
1-phenylpentane-2,2-diol
CID 56635388
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol (CID 82819467) is 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)c1c(F)ccc(C)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol?
The InChIKey is QOHMSXXFVZBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-3-17(20,11-13-7-5-4-6-8-13)15-14(18)10-9-12(2)16(15)19/h4-10,20H,3,11H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol?
2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol has a molecular weight of 276.33 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-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 82819467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).