benzhydrylbenzene;3H-2-benzofuran-1-one

C27H22O2 — CID 66609148

IUPACbenzhydrylbenzene;3H-2-benzofuran-1-one
SMILESO=C1OCc2ccccc21.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.C8H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8-7-4-2-1-3-6(7)5-10-8/h1-15,19H;1-4H,5H2
InChIKeyVHNFAQLOVBWGGB-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.22
Rot. Bonds3

About benzhydrylbenzene;3H-2-benzofuran-1-one

benzhydrylbenzene;3H-2-benzofuran-1-one (PubChem CID 66609148) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is benzhydrylbenzene;3H-2-benzofuran-1-one.

Molecular Properties

Compound Namebenzhydrylbenzene;3H-2-benzofuran-1-one
PubChem CID66609148
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Namebenzhydrylbenzene;3H-2-benzofuran-1-one
SMILESO=C1OCc2ccccc21.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.C8H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8-7-4-2-1-3-6(7)5-10-8/h1-15,19H;1-4H,5H2
InChIKeyVHNFAQLOVBWGGB-UHFFFAOYSA-N
XLogP6.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzhydrylbenzene;3H-2-benzofuran-1-one?
The IUPAC name of benzhydrylbenzene;3H-2-benzofuran-1-one (CID 66609148) is benzhydrylbenzene;3H-2-benzofuran-1-one.
What is the SMILES notation for benzhydrylbenzene;3H-2-benzofuran-1-one?
The canonical SMILES for benzhydrylbenzene;3H-2-benzofuran-1-one is O=C1OCc2ccccc21.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydrylbenzene;3H-2-benzofuran-1-one?
The InChIKey is VHNFAQLOVBWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C8H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8-7-4-2-1-3-6(7)5-10-8/h1-15,19H;1-4H,5H2.
What are the key properties of benzhydrylbenzene;3H-2-benzofuran-1-one?
benzhydrylbenzene;3H-2-benzofuran-1-one has a molecular weight of 378.47 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene;3H-2-benzofuran-1-one is sourced from PubChem (CID 66609148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).