1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene

C25H19ClO — CID 173189759

IUPAC1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
SMILESCOc1ccc(-c2c(-c3ccccc3)cccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H19ClO/c1-27-22-16-12-20(13-17-22)25-23(18-6-3-2-4-7-18)8-5-9-24(25)19-10-14-21(26)15-11-19/h2-17H,1H3
InChIKeyAOMZPALVGHRNQL-UHFFFAOYSA-N
MW370.88 g/mol
LogP7.35
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene

1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene (PubChem CID 173189759) has the molecular formula C25H19ClO and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
PubChem CID173189759
Molecular FormulaC25H19ClO
Molecular Weight370.88 g/mol
Exact Mass370.11
IUPAC Name1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
SMILESCOc1ccc(-c2c(-c3ccccc3)cccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H19ClO/c1-27-22-16-12-20(13-17-22)25-23(18-6-3-2-4-7-18)8-5-9-24(25)19-10-14-21(26)15-11-19/h2-17H,1H3
InChIKeyAOMZPALVGHRNQL-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
anisole;1,4-dichlorobenzene
CID 175517246
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
CID 175811193
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
7-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 141211329
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene (CID 173189759) is 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene is COc1ccc(-c2c(-c3ccccc3)cccc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene?
The InChIKey is AOMZPALVGHRNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClO/c1-27-22-16-12-20(13-17-22)25-23(18-6-3-2-4-7-18)8-5-9-24(25)19-10-14-21(26)15-11-19/h2-17H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene?
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene has a molecular weight of 370.88 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene is sourced from PubChem (CID 173189759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).