[4-(oxan-4-yl)phenyl]-phenylmethanone

C18H18O2 — CID 135328744

IUPAC[4-(oxan-4-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C18H18O2/c19-18(16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-12-20-13-11-15/h1-9,15H,10-13H2
InChIKeyGTOBJZSVKHMRPY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.81
Rot. Bonds3

About [4-(oxan-4-yl)phenyl]-phenylmethanone

[4-(oxan-4-yl)phenyl]-phenylmethanone (PubChem CID 135328744) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(oxan-4-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(oxan-4-yl)phenyl]-phenylmethanone
PubChem CID135328744
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[4-(oxan-4-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C18H18O2/c19-18(16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-12-20-13-11-15/h1-9,15H,10-13H2
InChIKeyGTOBJZSVKHMRPY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(oxan-4-yl)phenyl]-phenylmethanone (CID 135328744) is [4-(oxan-4-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(oxan-4-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(oxan-4-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(C2CCOCC2)cc1.
What is the InChIKey of [4-(oxan-4-yl)phenyl]-phenylmethanone?
The InChIKey is GTOBJZSVKHMRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(16-4-2-1-3-5-16)17-8-6-14(7-9-17)15-10-12-20-13-11-15/h1-9,15H,10-13H2.
What are the key properties of [4-(oxan-4-yl)phenyl]-phenylmethanone?
[4-(oxan-4-yl)phenyl]-phenylmethanone has a molecular weight of 266.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 135328744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).