1-chloro-3-(2-propan-2-yloxyethoxy)benzene

C11H15ClO2 — CID 60643608

IUPAC1-chloro-3-(2-propan-2-yloxyethoxy)benzene
SMILESCC(C)OCCOc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-9(2)13-6-7-14-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyAVUYYWUNMAJYEA-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.14
Rot. Bonds5

About 1-chloro-3-(2-propan-2-yloxyethoxy)benzene

1-chloro-3-(2-propan-2-yloxyethoxy)benzene (PubChem CID 60643608) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-3-(2-propan-2-yloxyethoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-propan-2-yloxyethoxy)benzene
PubChem CID60643608
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-chloro-3-(2-propan-2-yloxyethoxy)benzene
SMILESCC(C)OCCOc1cccc(Cl)c1
InChIInChI=1S/C11H15ClO2/c1-9(2)13-6-7-14-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyAVUYYWUNMAJYEA-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
CID 153498414
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane
CID 143267856
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
1-[2-(3-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66219215

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-propan-2-yloxyethoxy)benzene?
The IUPAC name of 1-chloro-3-(2-propan-2-yloxyethoxy)benzene (CID 60643608) is 1-chloro-3-(2-propan-2-yloxyethoxy)benzene.
What is the SMILES notation for 1-chloro-3-(2-propan-2-yloxyethoxy)benzene?
The canonical SMILES for 1-chloro-3-(2-propan-2-yloxyethoxy)benzene is CC(C)OCCOc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(2-propan-2-yloxyethoxy)benzene?
The InChIKey is AVUYYWUNMAJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-9(2)13-6-7-14-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-chloro-3-(2-propan-2-yloxyethoxy)benzene?
1-chloro-3-(2-propan-2-yloxyethoxy)benzene has a molecular weight of 214.69 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-propan-2-yloxyethoxy)benzene is sourced from PubChem (CID 60643608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).