4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol

C17H19FO2 — CID 21396558

IUPAC4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol
SMILESCc1cccc(Oc2ccc(C(C)(O)CCF)cc2)c1
InChIInChI=1S/C17H19FO2/c1-13-4-3-5-16(12-13)20-15-8-6-14(7-9-15)17(2,19)10-11-18/h3-9,12,19H,10-11H2,1-2H3
InChIKeyMUZKFEYRYFEARS-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.35
Rot. Bonds5

About 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol

4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol (PubChem CID 21396558) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol
PubChem CID21396558
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol
SMILESCc1cccc(Oc2ccc(C(C)(O)CCF)cc2)c1
InChIInChI=1S/C17H19FO2/c1-13-4-3-5-16(12-13)20-15-8-6-14(7-9-15)17(2,19)10-11-18/h3-9,12,19H,10-11H2,1-2H3
InChIKeyMUZKFEYRYFEARS-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol
CID 54436869
2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol
CID 54141082
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
1-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-methylbenzene
CID 135215267
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol?
The IUPAC name of 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol (CID 21396558) is 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol is Cc1cccc(Oc2ccc(C(C)(O)CCF)cc2)c1.
What is the InChIKey of 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol?
The InChIKey is MUZKFEYRYFEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-13-4-3-5-16(12-13)20-15-8-6-14(7-9-15)17(2,19)10-11-18/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol?
4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol has a molecular weight of 274.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol is sourced from PubChem (CID 21396558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).