2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene

C15H23ClO2 — CID 54956349

IUPAC2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
SMILESCCCCOCCOc1c(C)cc(CCl)cc1C
InChIInChI=1S/C15H23ClO2/c1-4-5-6-17-7-8-18-15-12(2)9-14(11-16)10-13(15)3/h9-10H,4-8,11H2,1-3H3
InChIKeyUOHWQBDVCCQBCG-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.24
Rot. Bonds8

About 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene

2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene (PubChem CID 54956349) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
PubChem CID54956349
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
SMILESCCCCOCCOc1c(C)cc(CCl)cc1C
InChIInChI=1S/C15H23ClO2/c1-4-5-6-17-7-8-18-15-12(2)9-14(11-16)10-13(15)3/h9-10H,4-8,11H2,1-3H3
InChIKeyUOHWQBDVCCQBCG-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.24
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

[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
5-(chloromethyl)-1,3-dimethyl-2-(2-propylsulfonylethoxy)benzene
CID 106726480
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene
CID 126609974
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855
1-butoxy-3,5-bis(chloromethyl)benzene
CID 89058586
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene?
The IUPAC name of 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene (CID 54956349) is 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene?
The canonical SMILES for 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene is CCCCOCCOc1c(C)cc(CCl)cc1C.
What is the InChIKey of 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene?
The InChIKey is UOHWQBDVCCQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-4-5-6-17-7-8-18-15-12(2)9-14(11-16)10-13(15)3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene?
2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene has a molecular weight of 270.80 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene is sourced from PubChem (CID 54956349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).