1-chloro-4-(2-ethoxyethoxy)naphthalene

C14H15ClO2 — CID 112769647

IUPAC1-chloro-4-(2-ethoxyethoxy)naphthalene
SMILESCCOCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H15ClO2/c1-2-16-9-10-17-14-8-7-13(15)11-5-3-4-6-12(11)14/h3-8H,2,9-10H2,1H3
InChIKeyAPAUECQIISNJMI-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.91
Rot. Bonds5

About 1-chloro-4-(2-ethoxyethoxy)naphthalene

1-chloro-4-(2-ethoxyethoxy)naphthalene (PubChem CID 112769647) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 1-chloro-4-(2-ethoxyethoxy)naphthalene.

Molecular Properties

Compound Name1-chloro-4-(2-ethoxyethoxy)naphthalene
PubChem CID112769647
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name1-chloro-4-(2-ethoxyethoxy)naphthalene
SMILESCCOCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H15ClO2/c1-2-16-9-10-17-14-8-7-13(15)11-5-3-4-6-12(11)14/h3-8H,2,9-10H2,1H3
InChIKeyAPAUECQIISNJMI-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.91
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

N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2898841
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]pyrrolidin-1-ium
CID 7241063
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
CID 63071626
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
1,4-dibutoxynaphthalene
CID 22016411

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-ethoxyethoxy)naphthalene?
The IUPAC name of 1-chloro-4-(2-ethoxyethoxy)naphthalene (CID 112769647) is 1-chloro-4-(2-ethoxyethoxy)naphthalene.
What is the SMILES notation for 1-chloro-4-(2-ethoxyethoxy)naphthalene?
The canonical SMILES for 1-chloro-4-(2-ethoxyethoxy)naphthalene is CCOCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(2-ethoxyethoxy)naphthalene?
The InChIKey is APAUECQIISNJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-2-16-9-10-17-14-8-7-13(15)11-5-3-4-6-12(11)14/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-chloro-4-(2-ethoxyethoxy)naphthalene?
1-chloro-4-(2-ethoxyethoxy)naphthalene has a molecular weight of 250.72 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-ethoxyethoxy)naphthalene is sourced from PubChem (CID 112769647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).