1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene

C22H32Cl2O — CID 54515841

IUPAC1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene
SMILESCCOCCC1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C22H32Cl2O/c1-2-25-15-12-17-6-8-18(9-7-17)22(13-4-3-5-14-22)19-10-11-20(23)21(24)16-19/h10-11,16-18H,2-9,12-15H2,1H3
InChIKeyYMIQZEXPGDEKRK-UHFFFAOYSA-N
MW383.40 g/mol
LogP7.43
Rot. Bonds6

About 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene

1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 54515841) has the molecular formula C22H32Cl2O and a molecular weight of 383.40 g/mol. Its IUPAC name is 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene
PubChem CID54515841
Molecular FormulaC22H32Cl2O
Molecular Weight383.40 g/mol
Exact Mass382.18
IUPAC Name1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene
SMILESCCOCCC1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C22H32Cl2O/c1-2-25-15-12-17-6-8-18(9-7-17)22(13-4-3-5-14-22)19-10-11-20(23)21(24)16-19/h10-11,16-18H,2-9,12-15H2,1H3
InChIKeyYMIQZEXPGDEKRK-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyl-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol;bis(1,2-dichloro-4-(1-cyclopentylcyclohexyl)benzene);bis(1,2-dichloro-4-(1-cyclopentylcyclopentyl)benzene);bis(3-[1-(3,4-dichlorophenyl)cyclohexyl]-1-methylpyrrolidine)
CID 159915831
(7aS)-7a-(3,4-dichlorophenyl)-2-ethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 134561008
(3aS)-7a-(3,4-dichlorophenyl)-2-ethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
CID 134554799
methane;1-prop-2-enoxy-2-prop-2-enyl-4-[1-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67924717
(3aS,6aR)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;(3aR,6aS)-3a-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 159144710
(7S)-7-(3,4-dichlorophenyl)-7-(2-ethoxyethyl)-3-azabicyclo[4.1.0]heptane
CID 68746464
(1R,6S,7R)-7-(3,4-dichlorophenyl)-7-(2-ethoxyethyl)-3-azabicyclo[4.1.0]heptane
CID 68726524
CID 22902616
CID 22902616
3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 75181358
2-cyclopropyl-2-(3,4-dichlorophenyl)azepane
CID 79116469
1-[1-(4-ethylcyclohexyl)cyclohexyl]-4-(1,2,2-trifluoroethenoxy)benzene
CID 67798961
1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
CID 22392468

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene (CID 54515841) is 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene is CCOCCC1CCC(C2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1.
What is the InChIKey of 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is YMIQZEXPGDEKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Cl2O/c1-2-25-15-12-17-6-8-18(9-7-17)22(13-4-3-5-14-22)19-10-11-20(23)21(24)16-19/h10-11,16-18H,2-9,12-15H2,1H3.
What are the key properties of 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene?
1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 383.40 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[1-[4-(2-ethoxyethyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 54515841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).