2-chloro-4-cyclobutyloxy-1-methoxybenzene

C11H13ClO2 — CID 130057041

IUPAC2-chloro-4-cyclobutyloxy-1-methoxybenzene
SMILESCOc1ccc(OC2CCC2)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-13-11-6-5-9(7-10(11)12)14-8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyPVUWAGGGGZHYOH-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.28
Rot. Bonds3

About 2-chloro-4-cyclobutyloxy-1-methoxybenzene

2-chloro-4-cyclobutyloxy-1-methoxybenzene (PubChem CID 130057041) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-4-cyclobutyloxy-1-methoxybenzene.

Molecular Properties

Compound Name2-chloro-4-cyclobutyloxy-1-methoxybenzene
PubChem CID130057041
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-chloro-4-cyclobutyloxy-1-methoxybenzene
SMILESCOc1ccc(OC2CCC2)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-13-11-6-5-9(7-10(11)12)14-8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyPVUWAGGGGZHYOH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130631642
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
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3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
CID 54051330
1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
CID 118404641
2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid
CID 100515066
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
CID 21187965
4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
CID 69357096
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
CID 30223452
(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 11616396
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclobutyloxy-1-methoxybenzene?
The IUPAC name of 2-chloro-4-cyclobutyloxy-1-methoxybenzene (CID 130057041) is 2-chloro-4-cyclobutyloxy-1-methoxybenzene.
What is the SMILES notation for 2-chloro-4-cyclobutyloxy-1-methoxybenzene?
The canonical SMILES for 2-chloro-4-cyclobutyloxy-1-methoxybenzene is COc1ccc(OC2CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cyclobutyloxy-1-methoxybenzene?
The InChIKey is PVUWAGGGGZHYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-13-11-6-5-9(7-10(11)12)14-8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 2-chloro-4-cyclobutyloxy-1-methoxybenzene?
2-chloro-4-cyclobutyloxy-1-methoxybenzene has a molecular weight of 212.68 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclobutyloxy-1-methoxybenzene is sourced from PubChem (CID 130057041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).