(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one

C19H17FO2 — CID 46904778

IUPAC(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one
SMILESO=C1C=C(c2ccc(CO)cc2)C[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FO2/c20-18-7-5-15(6-8-18)17-9-16(10-19(22)11-17)14-3-1-13(12-21)2-4-14/h1-8,10,17,21H,9,11-12H2/t17-/m1/s1
InChIKeyQQPIICFYTKWBQA-QGZVFWFLSA-N
MW296.34 g/mol
LogP3.85
Rot. Bonds3

About (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one

(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one (PubChem CID 46904778) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one
PubChem CID46904778
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one
SMILESO=C1C=C(c2ccc(CO)cc2)C[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FO2/c20-18-7-5-15(6-8-18)17-9-16(10-19(22)11-17)14-3-1-13(12-21)2-4-14/h1-8,10,17,21H,9,11-12H2/t17-/m1/s1
InChIKeyQQPIICFYTKWBQA-QGZVFWFLSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one (CID 46904778) is (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one is O=C1C=C(c2ccc(CO)cc2)C[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one?
The InChIKey is QQPIICFYTKWBQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17FO2/c20-18-7-5-15(6-8-18)17-9-16(10-19(22)11-17)14-3-1-13(12-21)2-4-14/h1-8,10,17,21H,9,11-12H2/t17-/m1/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one?
(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one has a molecular weight of 296.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one is sourced from PubChem (CID 46904778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).