1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene

C12H15Cl3O2 — CID 65175655

IUPAC1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene
SMILESCCOCCCOc1c(Cl)cc(Cl)cc1CCl
InChIInChI=1S/C12H15Cl3O2/c1-2-16-4-3-5-17-12-9(8-13)6-10(14)7-11(12)15/h6-7H,2-5,8H2,1H3
InChIKeyCHNMHUPNCBDFGU-UHFFFAOYSA-N
MW297.61 g/mol
LogP4.54
Rot. Bonds7

About 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene

1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene (PubChem CID 65175655) has the molecular formula C12H15Cl3O2 and a molecular weight of 297.61 g/mol. Its IUPAC name is 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene.

Molecular Properties

Compound Name1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene
PubChem CID65175655
Molecular FormulaC12H15Cl3O2
Molecular Weight297.61 g/mol
Exact Mass296.01
IUPAC Name1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene
SMILESCCOCCCOc1c(Cl)cc(Cl)cc1CCl
InChIInChI=1S/C12H15Cl3O2/c1-2-16-4-3-5-17-12-9(8-13)6-10(14)7-11(12)15/h6-7H,2-5,8H2,1H3
InChIKeyCHNMHUPNCBDFGU-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1,5-dichloro-3-(chloromethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 106929887
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene?
The IUPAC name of 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene (CID 65175655) is 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene.
What is the SMILES notation for 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene?
The canonical SMILES for 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene is CCOCCCOc1c(Cl)cc(Cl)cc1CCl.
What is the InChIKey of 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene?
The InChIKey is CHNMHUPNCBDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3O2/c1-2-16-4-3-5-17-12-9(8-13)6-10(14)7-11(12)15/h6-7H,2-5,8H2,1H3.
What are the key properties of 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene?
1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene has a molecular weight of 297.61 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(chloromethyl)-2-(3-ethoxypropoxy)benzene is sourced from PubChem (CID 65175655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).