2-phenyl-1-(4-phenyloxan-4-yl)ethanone

C19H20O2 — CID 63082189

IUPAC2-phenyl-1-(4-phenyloxan-4-yl)ethanone
SMILESO=C(Cc1ccccc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H20O2/c20-18(15-16-7-3-1-4-8-16)19(11-13-21-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyYCBDQKNSZAMVFK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.55
Rot. Bonds4

About 2-phenyl-1-(4-phenyloxan-4-yl)ethanone

2-phenyl-1-(4-phenyloxan-4-yl)ethanone (PubChem CID 63082189) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-phenyl-1-(4-phenyloxan-4-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(4-phenyloxan-4-yl)ethanone
PubChem CID63082189
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-phenyl-1-(4-phenyloxan-4-yl)ethanone
SMILESO=C(Cc1ccccc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H20O2/c20-18(15-16-7-3-1-4-8-16)19(11-13-21-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyYCBDQKNSZAMVFK-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-phenyloxan-4-yl)ethanone?
The IUPAC name of 2-phenyl-1-(4-phenyloxan-4-yl)ethanone (CID 63082189) is 2-phenyl-1-(4-phenyloxan-4-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(4-phenyloxan-4-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(4-phenyloxan-4-yl)ethanone is O=C(Cc1ccccc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-phenyl-1-(4-phenyloxan-4-yl)ethanone?
The InChIKey is YCBDQKNSZAMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(15-16-7-3-1-4-8-16)19(11-13-21-14-12-19)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2-phenyl-1-(4-phenyloxan-4-yl)ethanone?
2-phenyl-1-(4-phenyloxan-4-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-phenyloxan-4-yl)ethanone is sourced from PubChem (CID 63082189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).