6-(2-chloroethyl)-2,3-dimethoxynaphthalene

C14H15ClO2 — CID 20541850

IUPAC6-(2-chloroethyl)-2,3-dimethoxynaphthalene
SMILESCOc1cc2ccc(CCCl)cc2cc1OC
InChIInChI=1S/C14H15ClO2/c1-16-13-8-11-4-3-10(5-6-15)7-12(11)9-14(13)17-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyWHDRYNCLEFUFIW-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.64
Rot. Bonds4

About 6-(2-chloroethyl)-2,3-dimethoxynaphthalene

6-(2-chloroethyl)-2,3-dimethoxynaphthalene (PubChem CID 20541850) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 6-(2-chloroethyl)-2,3-dimethoxynaphthalene.

Molecular Properties

Compound Name6-(2-chloroethyl)-2,3-dimethoxynaphthalene
PubChem CID20541850
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name6-(2-chloroethyl)-2,3-dimethoxynaphthalene
SMILESCOc1cc2ccc(CCCl)cc2cc1OC
InChIInChI=1S/C14H15ClO2/c1-16-13-8-11-4-3-10(5-6-15)7-12(11)9-14(13)17-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyWHDRYNCLEFUFIW-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-chloroethyl)-2,3-dimethoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6,7-dimethoxynaphthalen-2-yl)ethanol
CID 12849270
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
3-chloro-6-ethyl-2-methoxynaphthalene
CID 162345335
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
CID 20541787
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
1-(2-chloroethyl)-4-methoxybenzene;2-(4-methoxyphenyl)ethanol
CID 159394766
2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene
CID 139761498
1-(6,7-dimethoxynaphthalen-2-yl)octan-3-imine;hydrochloride
CID 88752703
1-(2-chloroethyl)-2,4,5-trimethoxybenzene
CID 64867522
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-2,3-dimethoxynaphthalene?
The IUPAC name of 6-(2-chloroethyl)-2,3-dimethoxynaphthalene (CID 20541850) is 6-(2-chloroethyl)-2,3-dimethoxynaphthalene.
What is the SMILES notation for 6-(2-chloroethyl)-2,3-dimethoxynaphthalene?
The canonical SMILES for 6-(2-chloroethyl)-2,3-dimethoxynaphthalene is COc1cc2ccc(CCCl)cc2cc1OC.
What is the InChIKey of 6-(2-chloroethyl)-2,3-dimethoxynaphthalene?
The InChIKey is WHDRYNCLEFUFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-16-13-8-11-4-3-10(5-6-15)7-12(11)9-14(13)17-2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 6-(2-chloroethyl)-2,3-dimethoxynaphthalene?
6-(2-chloroethyl)-2,3-dimethoxynaphthalene has a molecular weight of 250.72 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-2,3-dimethoxynaphthalene is sourced from PubChem (CID 20541850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).