1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol

C16H16F2O2 — CID 105093291

IUPAC1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H16F2O2/c1-11-3-2-4-15(7-11)20-6-5-16(19)12-8-13(17)10-14(18)9-12/h2-4,7-10,16,19H,5-6H2,1H3
InChIKeyPPFOBJIVQKGILT-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.78
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol

1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol (PubChem CID 105093291) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
PubChem CID105093291
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H16F2O2/c1-11-3-2-4-15(7-11)20-6-5-16(19)12-8-13(17)10-14(18)9-12/h2-4,7-10,16,19H,5-6H2,1H3
InChIKeyPPFOBJIVQKGILT-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
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
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105119771
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol (CID 105093291) is 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol is Cc1cccc(OCCC(O)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol?
The InChIKey is PPFOBJIVQKGILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-11-3-2-4-15(7-11)20-6-5-16(19)12-8-13(17)10-14(18)9-12/h2-4,7-10,16,19H,5-6H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol?
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol is sourced from PubChem (CID 105093291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).