1-(6-chlorohexoxy)-4-ethoxybenzene

C14H21ClO2 — CID 63498933

IUPAC1-(6-chlorohexoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCCCCCCCl)cc1
InChIInChI=1S/C14H21ClO2/c1-2-16-13-7-9-14(10-8-13)17-12-6-4-3-5-11-15/h7-10H,2-6,11-12H2,1H3
InChIKeyBEWSZSKGMVRZLZ-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.26
Rot. Bonds9

About 1-(6-chlorohexoxy)-4-ethoxybenzene

1-(6-chlorohexoxy)-4-ethoxybenzene (PubChem CID 63498933) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(6-chlorohexoxy)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(6-chlorohexoxy)-4-ethoxybenzene
PubChem CID63498933
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(6-chlorohexoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCCCCCCCl)cc1
InChIInChI=1S/C14H21ClO2/c1-2-16-13-7-9-14(10-8-13)17-12-6-4-3-5-11-15/h7-10H,2-6,11-12H2,1H3
InChIKeyBEWSZSKGMVRZLZ-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
2-[4-(5-chloropentoxy)phenoxy]ethylsilane
CID 123967006
1,4-bis(3-chloropropoxy)benzene
CID 20523958
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
1,4-dipentoxybenzene
CID 18314717
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexoxy)-4-ethoxybenzene?
The IUPAC name of 1-(6-chlorohexoxy)-4-ethoxybenzene (CID 63498933) is 1-(6-chlorohexoxy)-4-ethoxybenzene.
What is the SMILES notation for 1-(6-chlorohexoxy)-4-ethoxybenzene?
The canonical SMILES for 1-(6-chlorohexoxy)-4-ethoxybenzene is CCOc1ccc(OCCCCCCCl)cc1.
What is the InChIKey of 1-(6-chlorohexoxy)-4-ethoxybenzene?
The InChIKey is BEWSZSKGMVRZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-2-16-13-7-9-14(10-8-13)17-12-6-4-3-5-11-15/h7-10H,2-6,11-12H2,1H3.
What are the key properties of 1-(6-chlorohexoxy)-4-ethoxybenzene?
1-(6-chlorohexoxy)-4-ethoxybenzene has a molecular weight of 256.77 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexoxy)-4-ethoxybenzene is sourced from PubChem (CID 63498933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).