1-(4-chlorobutoxy)-2-methoxybenzene

C11H15ClO2 — CID 22048718

IUPAC1-(4-chlorobutoxy)-2-methoxybenzene
SMILESCOc1ccccc1OCCCCCl
InChIInChI=1S/C11H15ClO2/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyOAAOSGFJQKFVOJ-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-chlorobutoxy)-2-methoxybenzene

1-(4-chlorobutoxy)-2-methoxybenzene (PubChem CID 22048718) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(4-chlorobutoxy)-2-methoxybenzene.

Molecular Properties

Compound Name1-(4-chlorobutoxy)-2-methoxybenzene
PubChem CID22048718
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(4-chlorobutoxy)-2-methoxybenzene
SMILESCOc1ccccc1OCCCCCl
InChIInChI=1S/C11H15ClO2/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyOAAOSGFJQKFVOJ-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.09
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

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4-(2-methoxyphenoxy)butan-1-ol
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1-methoxy-2-(4-phenoxybutoxy)benzene
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1-(chloromethoxy)-2-methoxybenzene
CID 12696124
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
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CID 43348422
4-(2-methoxyphenoxy)butanoyl chloride
CID 82041131
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
11-(2-methoxyphenoxy)undecanoic acid
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N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutoxy)-2-methoxybenzene?
The IUPAC name of 1-(4-chlorobutoxy)-2-methoxybenzene (CID 22048718) is 1-(4-chlorobutoxy)-2-methoxybenzene.
What is the SMILES notation for 1-(4-chlorobutoxy)-2-methoxybenzene?
The canonical SMILES for 1-(4-chlorobutoxy)-2-methoxybenzene is COc1ccccc1OCCCCCl.
What is the InChIKey of 1-(4-chlorobutoxy)-2-methoxybenzene?
The InChIKey is OAAOSGFJQKFVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 1-(4-chlorobutoxy)-2-methoxybenzene?
1-(4-chlorobutoxy)-2-methoxybenzene has a molecular weight of 214.69 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutoxy)-2-methoxybenzene is sourced from PubChem (CID 22048718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).