5-hydroxy-1,7-diphenylheptan-3-one

C19H22O2 — CID 562075

IUPAC5-hydroxy-1,7-diphenylheptan-3-one
SMILESO=C(CCc1ccccc1)CC(O)CCc1ccccc1
InChIInChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2
InChIKeyCCNKTMMNRPJQHV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.57
Rot. Bonds8

About 5-hydroxy-1,7-diphenylheptan-3-one

5-hydroxy-1,7-diphenylheptan-3-one (PubChem CID 562075) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-hydroxy-1,7-diphenylheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-1,7-diphenylheptan-3-one
PubChem CID562075
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name5-hydroxy-1,7-diphenylheptan-3-one
SMILESO=C(CCc1ccccc1)CC(O)CCc1ccccc1
InChIInChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2
InChIKeyCCNKTMMNRPJQHV-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,7-diphenylheptan-3-one?
The IUPAC name of 5-hydroxy-1,7-diphenylheptan-3-one (CID 562075) is 5-hydroxy-1,7-diphenylheptan-3-one.
What is the SMILES notation for 5-hydroxy-1,7-diphenylheptan-3-one?
The canonical SMILES for 5-hydroxy-1,7-diphenylheptan-3-one is O=C(CCc1ccccc1)CC(O)CCc1ccccc1.
What is the InChIKey of 5-hydroxy-1,7-diphenylheptan-3-one?
The InChIKey is CCNKTMMNRPJQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18,20H,11-15H2.
What are the key properties of 5-hydroxy-1,7-diphenylheptan-3-one?
5-hydroxy-1,7-diphenylheptan-3-one has a molecular weight of 282.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,7-diphenylheptan-3-one is sourced from PubChem (CID 562075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).