1,2-dichloro-3-cyclobutyloxybenzene

C10H10Cl2O — CID 130038402

IUPAC1,2-dichloro-3-cyclobutyloxybenzene
SMILESClc1cccc(OC2CCC2)c1Cl
InChIInChI=1S/C10H10Cl2O/c11-8-5-2-6-9(10(8)12)13-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyAXXABWQOTRHAFJ-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.92
Rot. Bonds2

About 1,2-dichloro-3-cyclobutyloxybenzene

1,2-dichloro-3-cyclobutyloxybenzene (PubChem CID 130038402) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1,2-dichloro-3-cyclobutyloxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3-cyclobutyloxybenzene
PubChem CID130038402
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name1,2-dichloro-3-cyclobutyloxybenzene
SMILESClc1cccc(OC2CCC2)c1Cl
InChIInChI=1S/C10H10Cl2O/c11-8-5-2-6-9(10(8)12)13-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyAXXABWQOTRHAFJ-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene
CID 66344254
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
1,2-dicyclohexyloxybenzene
CID 67331328
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
CID 114321808
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
4-(2-chloro-3-fluorophenoxy)piperidine
CID 154662449
(E)-3-(2-chloro-6-cycloheptyloxyphenyl)prop-2-enoic acid
CID 82928444
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769
3-(2-bromo-3-chlorophenoxy)-9-azabicyclo[3.3.1]nonane
CID 66840556
(3-cyclobutyl-1-methylpyrazol-4-yl)-[3-(2,3-dichlorophenoxy)azetidin-1-yl]methanone
CID 154764317

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-cyclobutyloxybenzene?
The IUPAC name of 1,2-dichloro-3-cyclobutyloxybenzene (CID 130038402) is 1,2-dichloro-3-cyclobutyloxybenzene.
What is the SMILES notation for 1,2-dichloro-3-cyclobutyloxybenzene?
The canonical SMILES for 1,2-dichloro-3-cyclobutyloxybenzene is Clc1cccc(OC2CCC2)c1Cl.
What is the InChIKey of 1,2-dichloro-3-cyclobutyloxybenzene?
The InChIKey is AXXABWQOTRHAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c11-8-5-2-6-9(10(8)12)13-7-3-1-4-7/h2,5-7H,1,3-4H2.
What are the key properties of 1,2-dichloro-3-cyclobutyloxybenzene?
1,2-dichloro-3-cyclobutyloxybenzene has a molecular weight of 217.09 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-cyclobutyloxybenzene is sourced from PubChem (CID 130038402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).