1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol

C17H18F2O2 — CID 105121745

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C17H18F2O2/c1-11-4-3-5-13(10-11)21-9-8-15(20)16-14(18)7-6-12(2)17(16)19/h3-7,10,15,20H,8-9H2,1-2H3
InChIKeyRUBMFQQZAUAIDY-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.08
Rot. Bonds5

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

1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol (PubChem CID 105121745) has the molecular formula C17H18F2O2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
PubChem CID105121745
Molecular FormulaC17H18F2O2
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C17H18F2O2/c1-11-4-3-5-13(10-11)21-9-8-15(20)16-14(18)7-6-12(2)17(16)19/h3-7,10,15,20H,8-9H2,1-2H3
InChIKeyRUBMFQQZAUAIDY-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
CID 105377568
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105119771
1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene
CID 112769762
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol (CID 105121745) is 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol is Cc1cccc(OCCC(O)c2c(F)ccc(C)c2F)c1.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol?
The InChIKey is RUBMFQQZAUAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-11-4-3-5-13(10-11)21-9-8-15(20)16-14(18)7-6-12(2)17(16)19/h3-7,10,15,20H,8-9H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol?
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol has a molecular weight of 292.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol is sourced from PubChem (CID 105121745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).