1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol

C16H17FO — CID 114979028

IUPAC1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1cccc(C(O)CCc2ccccc2)c1F
InChIInChI=1S/C16H17FO/c1-12-6-5-9-14(16(12)17)15(18)11-10-13-7-3-2-4-8-13/h2-9,15,18H,10-11H2,1H3
InChIKeyZEBQLIYLDANFMM-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.80
Rot. Bonds4

About 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol

1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 114979028) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
PubChem CID114979028
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1cccc(C(O)CCc2ccccc2)c1F
InChIInChI=1S/C16H17FO/c1-12-6-5-9-14(16(12)17)15(18)11-10-13-7-3-2-4-8-13/h2-9,15,18H,10-11H2,1H3
InChIKeyZEBQLIYLDANFMM-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
CID 114978840
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105121012
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol (CID 114979028) is 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol is Cc1cccc(C(O)CCc2ccccc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is ZEBQLIYLDANFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-12-6-5-9-14(16(12)17)15(18)11-10-13-7-3-2-4-8-13/h2-9,15,18H,10-11H2,1H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol?
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 244.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 114979028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).