1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene

C26H22O — CID 151505413

IUPAC1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
SMILESCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22O/c1-2-27-26-11-7-6-10-25(26)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-19H,2H2,1H3
InChIKeyPRHXHSMDKNVFGO-UHFFFAOYSA-N
MW350.46 g/mol
LogP7.09
Rot. Bonds5

About 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene

1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene (PubChem CID 151505413) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
PubChem CID151505413
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
SMILESCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H22O/c1-2-27-26-11-7-6-10-25(26)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-19H,2H2,1H3
InChIKeyPRHXHSMDKNVFGO-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-ethoxyphenyl)phenol
CID 83129672
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
4-(2-ethoxyphenyl)pyridine
CID 23466193
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
1-octadecoxy-2-phenylbenzene
CID 70983974
2,4-diethoxy-1-phenylbenzene
CID 132889855
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
1-[(E)-pent-2-enoxy]-2-phenylbenzene
CID 23726702
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene (CID 151505413) is 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene is CCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene?
The InChIKey is PRHXHSMDKNVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-2-27-26-11-7-6-10-25(26)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-8-4-3-5-9-20/h3-19H,2H2,1H3.
What are the key properties of 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene?
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene has a molecular weight of 350.46 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 151505413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).