oxan-4-yl-(4-phenylphenyl)methanone

C18H18O2 — CID 62905640

IUPACoxan-4-yl-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C18H18O2/c19-18(17-10-12-20-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyKOYBKVGXVUNTFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.96
Rot. Bonds3

About oxan-4-yl-(4-phenylphenyl)methanone

oxan-4-yl-(4-phenylphenyl)methanone (PubChem CID 62905640) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is oxan-4-yl-(4-phenylphenyl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-phenylphenyl)methanone
PubChem CID62905640
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameoxan-4-yl-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C18H18O2/c19-18(17-10-12-20-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2
InChIKeyKOYBKVGXVUNTFG-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-phenylphenyl)methanone?
The IUPAC name of oxan-4-yl-(4-phenylphenyl)methanone (CID 62905640) is oxan-4-yl-(4-phenylphenyl)methanone.
What is the SMILES notation for oxan-4-yl-(4-phenylphenyl)methanone?
The canonical SMILES for oxan-4-yl-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl-(4-phenylphenyl)methanone?
The InChIKey is KOYBKVGXVUNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(17-10-12-20-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2.
What are the key properties of oxan-4-yl-(4-phenylphenyl)methanone?
oxan-4-yl-(4-phenylphenyl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-phenylphenyl)methanone is sourced from PubChem (CID 62905640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).