4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol

C16H16ClFO — CID 22270498

IUPAC4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol
SMILESCC(O)C(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H16ClFO/c1-11(19)16(13-3-2-4-15(18)10-13)9-12-5-7-14(17)8-6-12/h2-8,10-11,16,19H,9H2,1H3
InChIKeyYLOLBOUVGFIFOW-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol

4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol (PubChem CID 22270498) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol
PubChem CID22270498
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol
SMILESCC(O)C(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H16ClFO/c1-11(19)16(13-3-2-4-15(18)10-13)9-12-5-7-14(17)8-6-12/h2-8,10-11,16,19H,9H2,1H3
InChIKeyYLOLBOUVGFIFOW-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol?
The IUPAC name of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol (CID 22270498) is 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol is CC(O)C(Cc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol?
The InChIKey is YLOLBOUVGFIFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11(19)16(13-3-2-4-15(18)10-13)9-12-5-7-14(17)8-6-12/h2-8,10-11,16,19H,9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol?
4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol has a molecular weight of 278.75 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(3-fluorophenyl)butan-2-ol is sourced from PubChem (CID 22270498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).