2-hydroxy-1,7-diphenylheptan-4-one

C19H22O2 — CID 24881814

IUPAC2-hydroxy-1,7-diphenylheptan-4-one
SMILESO=C(CCCc1ccccc1)CC(O)Cc1ccccc1
InChIInChI=1S/C19H22O2/c20-18(13-7-12-16-8-3-1-4-9-16)15-19(21)14-17-10-5-2-6-11-17/h1-6,8-11,19,21H,7,12-15H2
InChIKeyWGHBRVCBSYYFIC-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.57
Rot. Bonds8

About 2-hydroxy-1,7-diphenylheptan-4-one

2-hydroxy-1,7-diphenylheptan-4-one (PubChem CID 24881814) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-hydroxy-1,7-diphenylheptan-4-one.

Molecular Properties

Compound Name2-hydroxy-1,7-diphenylheptan-4-one
PubChem CID24881814
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-hydroxy-1,7-diphenylheptan-4-one
SMILESO=C(CCCc1ccccc1)CC(O)Cc1ccccc1
InChIInChI=1S/C19H22O2/c20-18(13-7-12-16-8-3-1-4-9-16)15-19(21)14-17-10-5-2-6-11-17/h1-6,8-11,19,21H,7,12-15H2
InChIKeyWGHBRVCBSYYFIC-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 2-hydroxy-1,7-diphenylheptan-4-one?
The IUPAC name of 2-hydroxy-1,7-diphenylheptan-4-one (CID 24881814) is 2-hydroxy-1,7-diphenylheptan-4-one.
What is the SMILES notation for 2-hydroxy-1,7-diphenylheptan-4-one?
The canonical SMILES for 2-hydroxy-1,7-diphenylheptan-4-one is O=C(CCCc1ccccc1)CC(O)Cc1ccccc1.
What is the InChIKey of 2-hydroxy-1,7-diphenylheptan-4-one?
The InChIKey is WGHBRVCBSYYFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c20-18(13-7-12-16-8-3-1-4-9-16)15-19(21)14-17-10-5-2-6-11-17/h1-6,8-11,19,21H,7,12-15H2.
What are the key properties of 2-hydroxy-1,7-diphenylheptan-4-one?
2-hydroxy-1,7-diphenylheptan-4-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 2-hydroxy-1,7-diphenylheptan-4-one is sourced from PubChem (CID 24881814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).