1-(2-butoxyethyl)-2-chlorobenzene

C12H17ClO — CID 91693275

IUPAC1-(2-butoxyethyl)-2-chlorobenzene
SMILESCCCCOCCc1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3
InChIKeyORXULMQZHRCTRO-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.70
Rot. Bonds6

About 1-(2-butoxyethyl)-2-chlorobenzene

1-(2-butoxyethyl)-2-chlorobenzene (PubChem CID 91693275) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-chlorobenzene
PubChem CID91693275
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-(2-butoxyethyl)-2-chlorobenzene
SMILESCCCCOCCc1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3
InChIKeyORXULMQZHRCTRO-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.70
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

1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
azane;1-butyl-2-chlorobenzene
CID 19011342
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
1-(2-butoxyethyl)-3-[2-(2-chlorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111883206
1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
CID 91692886
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
1-(2-chlorophenyl)-N-pentoxymethanamine
CID 175257385
1-chloro-2-(2-propan-2-yloxyethyl)benzene
CID 91691644
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
1-(butoxymethyl)-4-(2-chlorophenyl)benzene
CID 3066109

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-chlorobenzene?
The IUPAC name of 1-(2-butoxyethyl)-2-chlorobenzene (CID 91693275) is 1-(2-butoxyethyl)-2-chlorobenzene.
What is the SMILES notation for 1-(2-butoxyethyl)-2-chlorobenzene?
The canonical SMILES for 1-(2-butoxyethyl)-2-chlorobenzene is CCCCOCCc1ccccc1Cl.
What is the InChIKey of 1-(2-butoxyethyl)-2-chlorobenzene?
The InChIKey is ORXULMQZHRCTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-(2-butoxyethyl)-2-chlorobenzene?
1-(2-butoxyethyl)-2-chlorobenzene has a molecular weight of 212.72 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-chlorobenzene is sourced from PubChem (CID 91693275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).