ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone

C34H46O — CID 160788394

IUPACethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone
SMILESC.C.CC.CC.CC(=O)c1ccccc1.Cc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18.C8H8O.2C2H6.2CH4/c1-15-6-8-17(9-7-15)18-10-12-19(13-11-18)20-5-3-4-16(2)14-20;1-7(9)8-5-3-2-4-6-8;2*1-2;;/h3-14H,1-2H3;2-6H,1H3;2*1-2H3;2*1H4
InChIKeySBNAMYCQYCMIOO-UHFFFAOYSA-N
MW470.74 g/mol
LogP10.85
Rot. Bonds3

About ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone

ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone (PubChem CID 160788394) has the molecular formula C34H46O and a molecular weight of 470.74 g/mol. Its IUPAC name is ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone.

Molecular Properties

Compound Nameethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone
PubChem CID160788394
Molecular FormulaC34H46O
Molecular Weight470.74 g/mol
Exact Mass470.35
IUPAC Nameethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone
SMILESC.C.CC.CC.CC(=O)c1ccccc1.Cc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18.C8H8O.2C2H6.2CH4/c1-15-6-8-17(9-7-15)18-10-12-19(13-11-18)20-5-3-4-16(2)14-20;1-7(9)8-5-3-2-4-6-8;2*1-2;;/h3-14H,1-2H3;2-6H,1H3;2*1-2H3;2*1H4
InChIKeySBNAMYCQYCMIOO-UHFFFAOYSA-N
XLogP10.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
carbon monoxide;1-phenylethanone;toluene
CID 158914784
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone?
The IUPAC name of ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone (CID 160788394) is ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone.
What is the SMILES notation for ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone?
The canonical SMILES for ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone is C.C.CC.CC.CC(=O)c1ccccc1.Cc1ccc(-c2ccc(-c3cccc(C)c3)cc2)cc1.
What is the InChIKey of ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone?
The InChIKey is SBNAMYCQYCMIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C8H8O.2C2H6.2CH4/c1-15-6-8-17(9-7-15)18-10-12-19(13-11-18)20-5-3-4-16(2)14-20;1-7(9)8-5-3-2-4-6-8;2*1-2;;/h3-14H,1-2H3;2-6H,1H3;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone?
ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone has a molecular weight of 470.74 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone is sourced from PubChem (CID 160788394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).