1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol

C17H25FO — CID 70970008

IUPAC1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccc(C2CCC(F)C2)cc1
InChIInChI=1S/C17H25FO/c1-2-3-4-5-17(19)14-8-6-13(7-9-14)15-10-11-16(18)12-15/h6-9,15-17,19H,2-5,10-12H2,1H3
InChIKeyZHFPRUDRSFBDLX-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.91
Rot. Bonds6

About 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol

1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol (PubChem CID 70970008) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol
PubChem CID70970008
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccc(C2CCC(F)C2)cc1
InChIInChI=1S/C17H25FO/c1-2-3-4-5-17(19)14-8-6-13(7-9-14)15-10-11-16(18)12-15/h6-9,15-17,19H,2-5,10-12H2,1H3
InChIKeyZHFPRUDRSFBDLX-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
1-[4-[(1S,2S)-2-chlorocyclopentyl]phenyl]hexan-1-ol
CID 143942234
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
CID 79980578

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol?
The IUPAC name of 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol (CID 70970008) is 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol.
What is the SMILES notation for 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol?
The canonical SMILES for 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol is CCCCCC(O)c1ccc(C2CCC(F)C2)cc1.
What is the InChIKey of 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol?
The InChIKey is ZHFPRUDRSFBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-2-3-4-5-17(19)14-8-6-13(7-9-14)15-10-11-16(18)12-15/h6-9,15-17,19H,2-5,10-12H2,1H3.
What are the key properties of 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol?
1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol has a molecular weight of 264.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol is sourced from PubChem (CID 70970008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).