1,3-dimethoxynaphthalene-2-carbonyl chloride

C13H11ClO3 — CID 21275659

IUPAC1,3-dimethoxynaphthalene-2-carbonyl chloride
SMILESCOc1cc2ccccc2c(OC)c1C(=O)Cl
InChIInChI=1S/C13H11ClO3/c1-16-10-7-8-5-3-4-6-9(8)12(17-2)11(10)13(14)15/h3-7H,1-2H3
InChIKeyNOFYMFUADMTJKX-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.24
Rot. Bonds3

About 1,3-dimethoxynaphthalene-2-carbonyl chloride

1,3-dimethoxynaphthalene-2-carbonyl chloride (PubChem CID 21275659) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 1,3-dimethoxynaphthalene-2-carbonyl chloride.

Molecular Properties

Compound Name1,3-dimethoxynaphthalene-2-carbonyl chloride
PubChem CID21275659
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name1,3-dimethoxynaphthalene-2-carbonyl chloride
SMILESCOc1cc2ccccc2c(OC)c1C(=O)Cl
InChIInChI=1S/C13H11ClO3/c1-16-10-7-8-5-3-4-6-9(8)12(17-2)11(10)13(14)15/h3-7H,1-2H3
InChIKeyNOFYMFUADMTJKX-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
1,3-dimethylnaphthalene-2-carbonyl chloride
CID 54124479
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
(3,4-dimethoxyphenanthren-9-yl) hydrogen carbonate
CID 88743506
methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate
CID 102334359
(2,3-dimethoxynaphthalen-1-yl) 2-acetyloxypropanoate
CID 70442854
N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
CID 67615347
(E)-3-(2,3-dimethoxynaphthalen-1-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 142740676

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxynaphthalene-2-carbonyl chloride?
The IUPAC name of 1,3-dimethoxynaphthalene-2-carbonyl chloride (CID 21275659) is 1,3-dimethoxynaphthalene-2-carbonyl chloride.
What is the SMILES notation for 1,3-dimethoxynaphthalene-2-carbonyl chloride?
The canonical SMILES for 1,3-dimethoxynaphthalene-2-carbonyl chloride is COc1cc2ccccc2c(OC)c1C(=O)Cl.
What is the InChIKey of 1,3-dimethoxynaphthalene-2-carbonyl chloride?
The InChIKey is NOFYMFUADMTJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c1-16-10-7-8-5-3-4-6-9(8)12(17-2)11(10)13(14)15/h3-7H,1-2H3.
What are the key properties of 1,3-dimethoxynaphthalene-2-carbonyl chloride?
1,3-dimethoxynaphthalene-2-carbonyl chloride has a molecular weight of 250.68 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxynaphthalene-2-carbonyl chloride is sourced from PubChem (CID 21275659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).