1-(butoxymethyl)-2,4-dichlorobenzene

C11H14Cl2O — CID 527840

IUPAC1-(butoxymethyl)-2,4-dichlorobenzene
SMILESCCCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7H,2-3,6,8H2,1H3
InChIKeyJSCVZXJIQORJNU-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.31
Rot. Bonds5

About 1-(butoxymethyl)-2,4-dichlorobenzene

1-(butoxymethyl)-2,4-dichlorobenzene (PubChem CID 527840) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(butoxymethyl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(butoxymethyl)-2,4-dichlorobenzene
PubChem CID527840
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1-(butoxymethyl)-2,4-dichlorobenzene
SMILESCCCCOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7H,2-3,6,8H2,1H3
InChIKeyJSCVZXJIQORJNU-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.31
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

2,4-Dichlorobenzyl alcohol
CID 15684
4-Chlorostyrene oxide
CID 197010
Ether, bis(2,6-dichlorobenzyl)
CID 52735
2,4-Dichloro-alpha-methylbenzenemethanol
CID 92889
O-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 2764014
Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
Bis(p-chlorobenzyl) ether
CID 41869
Benzoic acid, p-chlorothio-, O-ethyl ester
CID 84101
(2,4-Dichlorophenyl)oxirane
CID 114557
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
2-(2-Chlorophenyl)oxirane
CID 560709
2,4,6-Trichlorobenzyl alcohol
CID 4582574

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-2,4-dichlorobenzene?
The IUPAC name of 1-(butoxymethyl)-2,4-dichlorobenzene (CID 527840) is 1-(butoxymethyl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(butoxymethyl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(butoxymethyl)-2,4-dichlorobenzene is CCCCOCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(butoxymethyl)-2,4-dichlorobenzene?
The InChIKey is JSCVZXJIQORJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 1-(butoxymethyl)-2,4-dichlorobenzene?
1-(butoxymethyl)-2,4-dichlorobenzene has a molecular weight of 233.14 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-2,4-dichlorobenzene is sourced from PubChem (CID 527840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).