1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol

C17H19FO — CID 62608212

IUPAC1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
SMILESCc1ccc(C(O)CCCc2ccccc2)cc1F
InChIInChI=1S/C17H19FO/c1-13-10-11-15(12-16(13)18)17(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,17,19H,5,8-9H2,1H3
InChIKeyPLRFEGLYOZJJFS-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.19
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol

1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol (PubChem CID 62608212) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
PubChem CID62608212
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
SMILESCc1ccc(C(O)CCCc2ccccc2)cc1F
InChIInChI=1S/C17H19FO/c1-13-10-11-15(12-16(13)18)17(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,17,19H,5,8-9H2,1H3
InChIKeyPLRFEGLYOZJJFS-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
[1-(4-fluoro-3-methylphenyl)-4-phenylbutyl]hydrazine
CID 105203971
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol (CID 62608212) is 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol is Cc1ccc(C(O)CCCc2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol?
The InChIKey is PLRFEGLYOZJJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-13-10-11-15(12-16(13)18)17(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,17,19H,5,8-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol?
1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 62608212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).