6-hydroxy-1,6-diphenylheptan-4-one

C19H22O2 — CID 42613276

IUPAC6-hydroxy-1,6-diphenylheptan-4-one
SMILESCC(O)(CC(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2/c1-19(21,17-12-6-3-7-13-17)15-18(20)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,21H,8,11,14-15H2,1H3
InChIKeyICGLDBRGOIRGFV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.88
Rot. Bonds7

About 6-hydroxy-1,6-diphenylheptan-4-one

6-hydroxy-1,6-diphenylheptan-4-one (PubChem CID 42613276) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-hydroxy-1,6-diphenylheptan-4-one.

Molecular Properties

Compound Name6-hydroxy-1,6-diphenylheptan-4-one
PubChem CID42613276
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name6-hydroxy-1,6-diphenylheptan-4-one
SMILESCC(O)(CC(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2/c1-19(21,17-12-6-3-7-13-17)15-18(20)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,21H,8,11,14-15H2,1H3
InChIKeyICGLDBRGOIRGFV-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,6-diphenylheptan-4-one?
The IUPAC name of 6-hydroxy-1,6-diphenylheptan-4-one (CID 42613276) is 6-hydroxy-1,6-diphenylheptan-4-one.
What is the SMILES notation for 6-hydroxy-1,6-diphenylheptan-4-one?
The canonical SMILES for 6-hydroxy-1,6-diphenylheptan-4-one is CC(O)(CC(=O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 6-hydroxy-1,6-diphenylheptan-4-one?
The InChIKey is ICGLDBRGOIRGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(21,17-12-6-3-7-13-17)15-18(20)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,21H,8,11,14-15H2,1H3.
What are the key properties of 6-hydroxy-1,6-diphenylheptan-4-one?
6-hydroxy-1,6-diphenylheptan-4-one has a molecular weight of 282.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,6-diphenylheptan-4-one is sourced from PubChem (CID 42613276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).