1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene

C24H32Cl2O5 — CID 142784737

IUPAC1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
SMILESCOCC(Cc1ccccc1Cl)OCCOCCOC(COC)Cc1ccccc1Cl
InChIInChI=1S/C24H32Cl2O5/c1-27-17-21(15-19-7-3-5-9-23(19)25)30-13-11-29-12-14-31-22(18-28-2)16-20-8-4-6-10-24(20)26/h3-10,21-22H,11-18H2,1-2H3
InChIKeyOGQOXTRHMQPWCC-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.86
Rot. Bonds16

About 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene

1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene (PubChem CID 142784737) has the molecular formula C24H32Cl2O5 and a molecular weight of 471.42 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
PubChem CID142784737
Molecular FormulaC24H32Cl2O5
Molecular Weight471.42 g/mol
Exact Mass470.16
IUPAC Name1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
SMILESCOCC(Cc1ccccc1Cl)OCCOCCOC(COC)Cc1ccccc1Cl
InChIInChI=1S/C24H32Cl2O5/c1-27-17-21(15-19-7-3-5-9-23(19)25)30-13-11-29-12-14-31-22(18-28-2)16-20-8-4-6-10-24(20)26/h3-10,21-22H,11-18H2,1-2H3
InChIKeyOGQOXTRHMQPWCC-UHFFFAOYSA-N
XLogP4.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
CID 103410965
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
N-[2-[(2-chlorophenyl)methoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227796
2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
CID 116500248
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475
3-[1-(2-chlorophenyl)-3-hydroxypropan-2-yl]oxypentan-3-ol
CID 129084836
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene
CID 22164152
1-chloro-2-[2-(chloromethyl)-5-methoxy-3-methylpentyl]benzene
CID 116500298
3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol
CID 174484313

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene?
The IUPAC name of 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene (CID 142784737) is 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene?
The canonical SMILES for 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene is COCC(Cc1ccccc1Cl)OCCOCCOC(COC)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene?
The InChIKey is OGQOXTRHMQPWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2O5/c1-27-17-21(15-19-7-3-5-9-23(19)25)30-13-11-29-12-14-31-22(18-28-2)16-20-8-4-6-10-24(20)26/h3-10,21-22H,11-18H2,1-2H3.
What are the key properties of 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene?
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene has a molecular weight of 471.42 g/mol, XLogP of 4.86, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene is sourced from PubChem (CID 142784737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).