ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene

C35H50O2 — CID 143793194

IUPACethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
SMILESCC.CC.CC.CC.CC.c1ccc(Oc2ccc(Cc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20O2.5C2H6/c1-3-7-22(8-4-1)26-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27-23-9-5-2-6-10-23;5*1-2/h1-18H,19H2;5*1-2H3
InChIKeyNFRHHOVZXCVMDR-UHFFFAOYSA-N
MW502.78 g/mol
LogP11.99
Rot. Bonds6

About ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene

ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene (PubChem CID 143793194) has the molecular formula C35H50O2 and a molecular weight of 502.78 g/mol. Its IUPAC name is ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene.

Molecular Properties

Compound Nameethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
PubChem CID143793194
Molecular FormulaC35H50O2
Molecular Weight502.78 g/mol
Exact Mass502.38
IUPAC Nameethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
SMILESCC.CC.CC.CC.CC.c1ccc(Oc2ccc(Cc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20O2.5C2H6/c1-3-7-22(8-4-1)26-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27-23-9-5-2-6-10-23;5*1-2/h1-18H,19H2;5*1-2H3
InChIKeyNFRHHOVZXCVMDR-UHFFFAOYSA-N
XLogP11.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.78
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;phenoxybenzene;propane
CID 90923491
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CID 158067654
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
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4-(4-benzylphenoxy)benzonitrile
CID 134587761
N-methyl-2-(4-phenoxyphenyl)acetamide
CID 20806825
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
benzylbenzene;ethane;methoxymethane
CID 159187560
1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?
The IUPAC name of ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene (CID 143793194) is ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene.
What is the SMILES notation for ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?
The canonical SMILES for ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene is CC.CC.CC.CC.CC.c1ccc(Oc2ccc(Cc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?
The InChIKey is NFRHHOVZXCVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2.5C2H6/c1-3-7-22(8-4-1)26-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27-23-9-5-2-6-10-23;5*1-2/h1-18H,19H2;5*1-2H3.
What are the key properties of ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene?
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene has a molecular weight of 502.78 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene is sourced from PubChem (CID 143793194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).