(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol

C21H26FNO — CID 10131431

IUPAC(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESC/C(=C\c1ccccc1)C(O)(c1cccc(F)c1)C(C)CN(C)C
InChIInChI=1S/C21H26FNO/c1-16(13-18-9-6-5-7-10-18)21(24,17(2)15-23(3)4)19-11-8-12-20(22)14-19/h5-14,17,24H,15H2,1-4H3/b16-13+
InChIKeyKGTMFVZBNPIIDU-DTQAZKPQSA-N
MW327.44 g/mol
LogP4.31
Rot. Bonds6

About (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol

(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 10131431) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID10131431
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESC/C(=C\c1ccccc1)C(O)(c1cccc(F)c1)C(C)CN(C)C
InChIInChI=1S/C21H26FNO/c1-16(13-18-9-6-5-7-10-18)21(24,17(2)15-23(3)4)19-11-8-12-20(22)14-19/h5-14,17,24H,15H2,1-4H3/b16-13+
InChIKeyKGTMFVZBNPIIDU-DTQAZKPQSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol (CID 10131431) is (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol is C/C(=C\c1ccccc1)C(O)(c1cccc(F)c1)C(C)CN(C)C.
What is the InChIKey of (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is KGTMFVZBNPIIDU-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H26FNO/c1-16(13-18-9-6-5-7-10-18)21(24,17(2)15-23(3)4)19-11-8-12-20(22)14-19/h5-14,17,24H,15H2,1-4H3/b16-13+.
What are the key properties of (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 327.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 10131431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).