1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene

C21H21ClO4 — CID 2898841

IUPAC1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
SMILESCOc1cccc(OCCOCCOc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C21H21ClO4/c1-23-16-5-4-6-17(15-16)25-13-11-24-12-14-26-21-10-9-20(22)18-7-2-3-8-19(18)21/h2-10,15H,11-14H2,1H3
InChIKeyPVFCAWFSHSAECR-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.98
Rot. Bonds9

About 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene

1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene (PubChem CID 2898841) has the molecular formula C21H21ClO4 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
PubChem CID2898841
Molecular FormulaC21H21ClO4
Molecular Weight372.85 g/mol
Exact Mass372.11
IUPAC Name1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
SMILESCOc1cccc(OCCOCCOc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C21H21ClO4/c1-23-16-5-4-6-17(15-16)25-13-11-24-12-14-26-21-10-9-20(22)18-7-2-3-8-19(18)21/h2-10,15H,11-14H2,1H3
InChIKeyPVFCAWFSHSAECR-UHFFFAOYSA-N
XLogP4.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830
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-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 2283471
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
1-chloro-4-methoxynaphthalene
CID 606038
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene?
The IUPAC name of 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene (CID 2898841) is 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene.
What is the SMILES notation for 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene?
The canonical SMILES for 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene is COc1cccc(OCCOCCOc2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene?
The InChIKey is PVFCAWFSHSAECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClO4/c1-23-16-5-4-6-17(15-16)25-13-11-24-12-14-26-21-10-9-20(22)18-7-2-3-8-19(18)21/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene?
1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene has a molecular weight of 372.85 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene is sourced from PubChem (CID 2898841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).