2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene

C25H18Cl2O2 — CID 91251080

IUPAC2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
SMILESClc1ccc(Oc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)c(Cl)c1
InChIInChI=1S/C25H18Cl2O2/c26-21-11-14-25(24(27)16-21)29-22-12-9-19(10-13-22)20-7-4-8-23(15-20)28-17-18-5-2-1-3-6-18/h1-16H,17H2
InChIKeySPTLOEXERCRVNE-UHFFFAOYSA-N
MW421.32 g/mol
LogP8.03
Rot. Bonds6

About 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene

2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene (PubChem CID 91251080) has the molecular formula C25H18Cl2O2 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
PubChem CID91251080
Molecular FormulaC25H18Cl2O2
Molecular Weight421.32 g/mol
Exact Mass420.07
IUPAC Name2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
SMILESClc1ccc(Oc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)c(Cl)c1
InChIInChI=1S/C25H18Cl2O2/c26-21-11-14-25(24(27)16-21)29-22-12-9-19(10-13-22)20-7-4-8-23(15-20)28-17-18-5-2-1-3-6-18/h1-16H,17H2
InChIKeySPTLOEXERCRVNE-UHFFFAOYSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.32
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
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CID 125116795
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CID 50888850
1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 174674361
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
3-chloro-5-(3-phenylmethoxyphenyl)benzonitrile
CID 172993814
2-[4-(2,4-dichlorophenoxy)phenyl]furan
CID 168526554
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
1-isocyanato-4-(3-phenylmethoxyphenyl)benzene
CID 169354799
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
CID 50888745

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene?
The IUPAC name of 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene (CID 91251080) is 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene.
What is the SMILES notation for 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene?
The canonical SMILES for 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene is Clc1ccc(Oc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene?
The InChIKey is SPTLOEXERCRVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2O2/c26-21-11-14-25(24(27)16-21)29-22-12-9-19(10-13-22)20-7-4-8-23(15-20)28-17-18-5-2-1-3-6-18/h1-16H,17H2.
What are the key properties of 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene?
2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene has a molecular weight of 421.32 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene is sourced from PubChem (CID 91251080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).