ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene

C30H36O — CID 142829586

IUPACethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
SMILESCC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14.C12H10O.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2/h3-10H,1-2H3;1-10H;2*1-2H3
InChIKeyPQUZQBVCDYOIMX-UHFFFAOYSA-N
MW412.62 g/mol
LogP9.50
Rot. Bonds3

About ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene

ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene (PubChem CID 142829586) has the molecular formula C30H36O and a molecular weight of 412.62 g/mol. Its IUPAC name is ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
PubChem CID142829586
Molecular FormulaC30H36O
Molecular Weight412.62 g/mol
Exact Mass412.28
IUPAC Nameethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
SMILESCC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14.C12H10O.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2/h3-10H,1-2H3;1-10H;2*1-2H3
InChIKeyPQUZQBVCDYOIMX-UHFFFAOYSA-N
XLogP9.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene?
The IUPAC name of ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene (CID 142829586) is ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene.
What is the SMILES notation for ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene?
The canonical SMILES for ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene is CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene?
The InChIKey is PQUZQBVCDYOIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C12H10O.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2/h3-10H,1-2H3;1-10H;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene?
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene has a molecular weight of 412.62 g/mol, XLogP of 9.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene is sourced from PubChem (CID 142829586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).