ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene

C22H24O2 — CID 142197636

IUPACethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
SMILESCC.Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18O2.C2H6/c1-16-10-12-18(13-11-16)22-20-9-5-8-19(14-20)21-15-17-6-3-2-4-7-17;1-2/h2-14H,15H2,1H3;1-2H3
InChIKeyKWMYSFNMJAYBOP-UHFFFAOYSA-N
MW320.43 g/mol
LogP6.39
Rot. Bonds5

About ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene

ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene (PubChem CID 142197636) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
PubChem CID142197636
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Nameethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
SMILESCC.Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18O2.C2H6/c1-16-10-12-18(13-11-16)22-20-9-5-8-19(14-20)21-15-17-6-3-2-4-7-17;1-2/h2-14H,15H2,1H3;1-2H3
InChIKeyKWMYSFNMJAYBOP-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
CID 158309551
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
CID 89036380
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole
CID 70855080
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene?
The IUPAC name of ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene (CID 142197636) is ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene.
What is the SMILES notation for ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene?
The canonical SMILES for ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene is CC.Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene?
The InChIKey is KWMYSFNMJAYBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2.C2H6/c1-16-10-12-18(13-11-16)22-20-9-5-8-19(14-20)21-15-17-6-3-2-4-7-17;1-2/h2-14H,15H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene?
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene has a molecular weight of 320.43 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene is sourced from PubChem (CID 142197636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).