3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol

C14H19FO — CID 79448648

IUPAC3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol
SMILESOCC(CC1CCCC1)c1ccccc1F
InChIInChI=1S/C14H19FO/c15-14-8-4-3-7-13(14)12(10-16)9-11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2
InChIKeyGEFPBCPKFJPNAR-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.48
Rot. Bonds4

About 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol

3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol (PubChem CID 79448648) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol
PubChem CID79448648
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol
SMILESOCC(CC1CCCC1)c1ccccc1F
InChIInChI=1S/C14H19FO/c15-14-8-4-3-7-13(14)12(10-16)9-11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2
InChIKeyGEFPBCPKFJPNAR-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol (CID 79448648) is 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol is OCC(CC1CCCC1)c1ccccc1F.
What is the InChIKey of 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is GEFPBCPKFJPNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c15-14-8-4-3-7-13(14)12(10-16)9-11-5-1-2-6-11/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2.
What are the key properties of 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol?
3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).