3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol

C25H27FO — CID 177412167

IUPAC3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol
SMILESCCCCC(F)(c1ccc(-c2ccccc2)cc1)C(C)(O)c1ccccc1
InChIInChI=1S/C25H27FO/c1-3-4-19-25(26,24(2,27)22-13-9-6-10-14-22)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-18,27H,3-4,19H2,1-2H3
InChIKeyOEIYBZGPENIQOC-UHFFFAOYSA-N
MW362.49 g/mol
LogP6.62
Rot. Bonds7

About 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol

3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol (PubChem CID 177412167) has the molecular formula C25H27FO and a molecular weight of 362.49 g/mol. Its IUPAC name is 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol.

Molecular Properties

Compound Name3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol
PubChem CID177412167
Molecular FormulaC25H27FO
Molecular Weight362.49 g/mol
Exact Mass362.20
IUPAC Name3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol
SMILESCCCCC(F)(c1ccc(-c2ccccc2)cc1)C(C)(O)c1ccccc1
InChIInChI=1S/C25H27FO/c1-3-4-19-25(26,24(2,27)22-13-9-6-10-14-22)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-18,27H,3-4,19H2,1-2H3
InChIKeyOEIYBZGPENIQOC-UHFFFAOYSA-N
XLogP6.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol?
The IUPAC name of 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol (CID 177412167) is 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol.
What is the SMILES notation for 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol?
The canonical SMILES for 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol is CCCCC(F)(c1ccc(-c2ccccc2)cc1)C(C)(O)c1ccccc1.
What is the InChIKey of 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol?
The InChIKey is OEIYBZGPENIQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FO/c1-3-4-19-25(26,24(2,27)22-13-9-6-10-14-22)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-18,27H,3-4,19H2,1-2H3.
What are the key properties of 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol?
3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol has a molecular weight of 362.49 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenyl-3-(4-phenylphenyl)heptan-2-ol is sourced from PubChem (CID 177412167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).