(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

C20H30FNO — CID 69338484

IUPAC(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C\c1ccc(F)cc1)C(O)(C(C)CN(C)C)C1CCCC1
InChIInChI=1S/C20H30FNO/c1-15(13-17-9-11-19(21)12-10-17)20(23,16(2)14-22(3)4)18-7-5-6-8-18/h9-13,16,18,23H,5-8,14H2,1-4H3/b15-13+
InChIKeyMCGGQUIRUKYNSJ-FYWRMAATSA-N
MW319.46 g/mol
LogP4.35
Rot. Bonds6

About (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol

(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (PubChem CID 69338484) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
PubChem CID69338484
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C\c1ccc(F)cc1)C(O)(C(C)CN(C)C)C1CCCC1
InChIInChI=1S/C20H30FNO/c1-15(13-17-9-11-19(21)12-10-17)20(23,16(2)14-22(3)4)18-7-5-6-8-18/h9-13,16,18,23H,5-8,14H2,1-4H3/b15-13+
InChIKeyMCGGQUIRUKYNSJ-FYWRMAATSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol (CID 69338484) is (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is C/C(=C\c1ccc(F)cc1)C(O)(C(C)CN(C)C)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is MCGGQUIRUKYNSJ-FYWRMAATSA-N. The full InChI is InChI=1S/C20H30FNO/c1-15(13-17-9-11-19(21)12-10-17)20(23,16(2)14-22(3)4)18-7-5-6-8-18/h9-13,16,18,23H,5-8,14H2,1-4H3/b15-13+.
What are the key properties of (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol?
(E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 319.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 69338484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).