1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol

C17H19FO — CID 55149163

IUPAC1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CCC(O)Cc1cccc(F)c1
InChIInChI=1S/C17H19FO/c1-13-5-2-3-7-15(13)9-10-17(19)12-14-6-4-8-16(18)11-14/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyDVPHEDFNYYPUDD-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.67
Rot. Bonds5

About 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol

1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol (PubChem CID 55149163) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
PubChem CID55149163
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CCC(O)Cc1cccc(F)c1
InChIInChI=1S/C17H19FO/c1-13-5-2-3-7-15(13)9-10-17(19)12-14-6-4-8-16(18)11-14/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyDVPHEDFNYYPUDD-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 63016247
1-[3-chloro-4-(3-fluorophenyl)butyl]-2-methylbenzene
CID 63542842
1-(3,5-dimethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105079612
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
[1-(3-fluorophenyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105204751

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol (CID 55149163) is 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol is Cc1ccccc1CCC(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol?
The InChIKey is DVPHEDFNYYPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-13-5-2-3-7-15(13)9-10-17(19)12-14-6-4-8-16(18)11-14/h2-8,11,17,19H,9-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol?
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol has a molecular weight of 258.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 55149163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).