(3S)-3-hydroxy-1,5-diphenylpentan-1-one

C17H18O2 — CID 10858018

IUPAC(3S)-3-hydroxy-1,5-diphenylpentan-1-one
SMILESO=C(C[C@@H](O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1
InChIKeyQJUWGGININGVSC-INIZCTEOSA-N
MW254.33 g/mol
LogP3.25
Rot. Bonds6

About (3S)-3-hydroxy-1,5-diphenylpentan-1-one

(3S)-3-hydroxy-1,5-diphenylpentan-1-one (PubChem CID 10858018) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3S)-3-hydroxy-1,5-diphenylpentan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1,5-diphenylpentan-1-one
PubChem CID10858018
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(3S)-3-hydroxy-1,5-diphenylpentan-1-one
SMILESO=C(C[C@@H](O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1
InChIKeyQJUWGGININGVSC-INIZCTEOSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1,5-diphenylpentan-1-one?
The IUPAC name of (3S)-3-hydroxy-1,5-diphenylpentan-1-one (CID 10858018) is (3S)-3-hydroxy-1,5-diphenylpentan-1-one.
What is the SMILES notation for (3S)-3-hydroxy-1,5-diphenylpentan-1-one?
The canonical SMILES for (3S)-3-hydroxy-1,5-diphenylpentan-1-one is O=C(C[C@@H](O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-1,5-diphenylpentan-1-one?
The InChIKey is QJUWGGININGVSC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1,5-diphenylpentan-1-one?
(3S)-3-hydroxy-1,5-diphenylpentan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1,5-diphenylpentan-1-one is sourced from PubChem (CID 10858018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).