2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene

C14H21ClO2 — CID 138473747

IUPAC2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
SMILESCCc1ccc(OCCOC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClO2/c1-5-11-6-7-13(12(15)10-11)16-8-9-17-14(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyQVDPYNNSWVMKRC-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.10
Rot. Bonds5

About 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene

2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene (PubChem CID 138473747) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
PubChem CID138473747
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
SMILESCCc1ccc(OCCOC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClO2/c1-5-11-6-7-13(12(15)10-11)16-8-9-17-14(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyQVDPYNNSWVMKRC-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.10
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

3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587104
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 112588511
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
N-[[3-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588180
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene
CID 115942949
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
[5-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112586997
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The IUPAC name of 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene (CID 138473747) is 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene.
What is the SMILES notation for 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The canonical SMILES for 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene is CCc1ccc(OCCOC(C)(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The InChIKey is QVDPYNNSWVMKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-5-11-6-7-13(12(15)10-11)16-8-9-17-14(2,3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene has a molecular weight of 256.77 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene is sourced from PubChem (CID 138473747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).