2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene

C28H24Cl2O — CID 129147717

IUPAC2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene
SMILESCc1ccc(Oc2ccc(CCc3ccc(-c4ccc(C)cc4Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C28H24Cl2O/c1-19-3-11-23(12-4-19)31-24-13-8-21(9-14-24)6-7-22-10-16-26(28(30)18-22)25-15-5-20(2)17-27(25)29/h3-5,8-18H,6-7H2,1-2H3
InChIKeyRUAOEYYNNWDXMT-UHFFFAOYSA-N
MW447.41 g/mol
LogP8.85
Rot. Bonds6

About 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene

2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene (PubChem CID 129147717) has the molecular formula C28H24Cl2O and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene
PubChem CID129147717
Molecular FormulaC28H24Cl2O
Molecular Weight447.41 g/mol
Exact Mass446.12
IUPAC Name2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene
SMILESCc1ccc(Oc2ccc(CCc3ccc(-c4ccc(C)cc4Cl)c(Cl)c3)cc2)cc1
InChIInChI=1S/C28H24Cl2O/c1-19-3-11-23(12-4-19)31-24-13-8-21(9-14-24)6-7-22-10-16-26(28(30)18-22)25-15-5-20(2)17-27(25)29/h3-5,8-18H,6-7H2,1-2H3
InChIKeyRUAOEYYNNWDXMT-UHFFFAOYSA-N
XLogP8.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
1,2-dichloro-4-[2-(2-fluoro-4-methylphenyl)ethyl]benzene
CID 164873635
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
CID 145465634
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene?
The IUPAC name of 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene (CID 129147717) is 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene?
The canonical SMILES for 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene is Cc1ccc(Oc2ccc(CCc3ccc(-c4ccc(C)cc4Cl)c(Cl)c3)cc2)cc1.
What is the InChIKey of 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene?
The InChIKey is RUAOEYYNNWDXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2O/c1-19-3-11-23(12-4-19)31-24-13-8-21(9-14-24)6-7-22-10-16-26(28(30)18-22)25-15-5-20(2)17-27(25)29/h3-5,8-18H,6-7H2,1-2H3.
What are the key properties of 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene?
2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene has a molecular weight of 447.41 g/mol, XLogP of 8.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-chloro-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]phenyl]-4-methylbenzene is sourced from PubChem (CID 129147717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).