1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene

C22H22O — CID 90895465

IUPAC1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
SMILESCC(C)Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H22O/c1-17(2)15-18-11-13-21(14-12-18)23-22-10-6-9-20(16-22)19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3
InChIKeyHIIVOVDJDWUCSM-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.34
Rot. Bonds5

About 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene

1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene (PubChem CID 90895465) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
PubChem CID90895465
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
SMILESCC(C)Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H22O/c1-17(2)15-18-11-13-21(14-12-18)23-22-10-6-9-20(16-22)19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3
InChIKeyHIIVOVDJDWUCSM-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
CID 139568524
4-(3-phenylphenoxy)-2-propan-2-ylphenol
CID 21466339
1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
CID 22087476
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide
CID 10340262
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene
CID 126736482
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 18363747
2-[4-[3-[4-(hydroxymethyl)phenoxy]phenyl]phenyl]propan-2-ol
CID 174457706

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene?
The IUPAC name of 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene (CID 90895465) is 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene is CC(C)Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene?
The InChIKey is HIIVOVDJDWUCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-17(2)15-18-11-13-21(14-12-18)23-22-10-6-9-20(16-22)19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene?
1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene has a molecular weight of 302.42 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene is sourced from PubChem (CID 90895465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).