(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol

C22H18FNO — CID 164671372

IUPAC(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol
SMILESC=C[C@@H]([C@H](O)c1ccc(F)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H18FNO/c1-2-19(22(25)15-11-13-16(23)14-12-15)24-20-9-5-3-7-17(20)18-8-4-6-10-21(18)24/h2-14,19,22,25H,1H2/t19-,22+/m0/s1
InChIKeyHDCSGONOLGYRJS-SIKLNZKXSA-N
MW331.39 g/mol
LogP5.39
Rot. Bonds4

About (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol

(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol (PubChem CID 164671372) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol
PubChem CID164671372
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol
SMILESC=C[C@@H]([C@H](O)c1ccc(F)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H18FNO/c1-2-19(22(25)15-11-13-16(23)14-12-15)24-20-9-5-3-7-17(20)18-8-4-6-10-21(18)24/h2-14,19,22,25H,1H2/t19-,22+/m0/s1
InChIKeyHDCSGONOLGYRJS-SIKLNZKXSA-N
XLogP5.39
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol?
The IUPAC name of (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol (CID 164671372) is (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol is C=C[C@@H]([C@H](O)c1ccc(F)cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol?
The InChIKey is HDCSGONOLGYRJS-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H18FNO/c1-2-19(22(25)15-11-13-16(23)14-12-15)24-20-9-5-3-7-17(20)18-8-4-6-10-21(18)24/h2-14,19,22,25H,1H2/t19-,22+/m0/s1.
What are the key properties of (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol?
(1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol has a molecular weight of 331.39 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-carbazol-9-yl-1-(4-fluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 164671372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).