2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene

C14H14Cl2O2 — CID 139761498

IUPAC2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene
SMILESCOc1cc2cc(CCl)c(CCl)cc2cc1OC
InChIInChI=1S/C14H14Cl2O2/c1-17-13-5-9-3-11(7-15)12(8-16)4-10(9)6-14(13)18-2/h3-6H,7-8H2,1-2H3
InChIKeyJGEYEUVLTYIPRP-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.33
Rot. Bonds4

About 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene

2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene (PubChem CID 139761498) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene.

Molecular Properties

Compound Name2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene
PubChem CID139761498
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene
SMILESCOc1cc2cc(CCl)c(CCl)cc2cc1OC
InChIInChI=1S/C14H14Cl2O2/c1-17-13-5-9-3-11(7-15)12(8-16)4-10(9)6-14(13)18-2/h3-6H,7-8H2,1-2H3
InChIKeyJGEYEUVLTYIPRP-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
6-(2-chloroethyl)-2,3-dimethoxynaphthalene
CID 20541850
2-chloro-1-(chloromethyl)-5-fluoro-3-methoxybenzene
CID 171005344
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
1-(2-chloroethyl)-2,4,5-trimethoxybenzene
CID 64867522
3-(hydroxymethyl)-6,7-dimethoxynaphthalene-2-carboxylic acid
CID 165394364
5-chloro-1-(chloromethyl)-2-iodo-3-methoxybenzene
CID 171002615
5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol
CID 13482290
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
sodium 3-(hydroxymethyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 165394363

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene?
The IUPAC name of 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene (CID 139761498) is 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene.
What is the SMILES notation for 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene?
The canonical SMILES for 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene is COc1cc2cc(CCl)c(CCl)cc2cc1OC.
What is the InChIKey of 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene?
The InChIKey is JGEYEUVLTYIPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c1-17-13-5-9-3-11(7-15)12(8-16)4-10(9)6-14(13)18-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene?
2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene has a molecular weight of 285.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene is sourced from PubChem (CID 139761498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).