ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium

C19H25O2Y- — CID 161157838

IUPACethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium
SMILESCC.CC.COc1ccc(-c2ccc(C[C-]=O)cc2)cc1.[Y]
InChIInChI=1S/C15H13O2.2C2H6.Y/c1-17-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16;2*1-2;/h2-9H,10H2,1H3;2*1-2H3;/q-1;;;
InChIKeyCQEBNTKSOZENDX-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.06
Rot. Bonds4

About ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium

ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium (PubChem CID 161157838) has the molecular formula C19H25O2Y- and a molecular weight of 374.31 g/mol. Its IUPAC name is ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium.

Molecular Properties

Compound Nameethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium
PubChem CID161157838
Molecular FormulaC19H25O2Y-
Molecular Weight374.31 g/mol
Exact Mass374.09
IUPAC Nameethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium
SMILESCC.CC.COc1ccc(-c2ccc(C[C-]=O)cc2)cc1.[Y]
InChIInChI=1S/C15H13O2.2C2H6.Y/c1-17-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16;2*1-2;/h2-9H,10H2,1H3;2*1-2H3;/q-1;;;
InChIKeyCQEBNTKSOZENDX-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[(4-methoxyphenyl)methylamino]methanone;yttrium
CID 163392787
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 144891551
1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
CID 139457109
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
ethane;1-methoxy-4-propylbenzene
CID 142085762

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium?
The IUPAC name of ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium (CID 161157838) is ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium.
What is the SMILES notation for ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium?
The canonical SMILES for ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium is CC.CC.COc1ccc(-c2ccc(C[C-]=O)cc2)cc1.[Y].
What is the InChIKey of ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium?
The InChIKey is CQEBNTKSOZENDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O2.2C2H6.Y/c1-17-15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16;2*1-2;/h2-9H,10H2,1H3;2*1-2H3;/q-1;;;.
What are the key properties of ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium?
ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium has a molecular weight of 374.31 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(4-methoxyphenyl)phenyl]ethanone;yttrium is sourced from PubChem (CID 161157838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).