(3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol

C20H25FO2 — CID 138375725

IUPAC(3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol
SMILESOCC[C@](F)(CCCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25FO2/c21-20(14-15-22,19-11-5-2-6-12-19)13-7-8-16-23-17-18-9-3-1-4-10-18/h1-6,9-12,22H,7-8,13-17H2/t20-/m1/s1
InChIKeyIULZWMBYSPGKNY-HXUWFJFHSA-N
MW316.42 g/mol
LogP4.62
Rot. Bonds10

About (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol

(3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol (PubChem CID 138375725) has the molecular formula C20H25FO2 and a molecular weight of 316.42 g/mol. Its IUPAC name is (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol.

Molecular Properties

Compound Name(3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol
PubChem CID138375725
Molecular FormulaC20H25FO2
Molecular Weight316.42 g/mol
Exact Mass316.18
IUPAC Name(3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol
SMILESOCC[C@](F)(CCCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25FO2/c21-20(14-15-22,19-11-5-2-6-12-19)13-7-8-16-23-17-18-9-3-1-4-10-18/h1-6,9-12,22H,7-8,13-17H2/t20-/m1/s1
InChIKeyIULZWMBYSPGKNY-HXUWFJFHSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol?
The IUPAC name of (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol (CID 138375725) is (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol.
What is the SMILES notation for (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol?
The canonical SMILES for (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol is OCC[C@](F)(CCCCOCc1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol?
The InChIKey is IULZWMBYSPGKNY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FO2/c21-20(14-15-22,19-11-5-2-6-12-19)13-7-8-16-23-17-18-9-3-1-4-10-18/h1-6,9-12,22H,7-8,13-17H2/t20-/m1/s1.
What are the key properties of (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol?
(3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol has a molecular weight of 316.42 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-phenyl-7-phenylmethoxyheptan-1-ol is sourced from PubChem (CID 138375725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).