2-methoxynaphthalene-1-carbonyl chloride

C12H9ClO2 — CID 3016662

IUPAC2-methoxynaphthalene-1-carbonyl chloride
SMILESCOc1ccc2ccccc2c1C(=O)Cl
InChIInChI=1S/C12H9ClO2/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChIKeySXPBNKRSGVLWJQ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.23
Rot. Bonds2

About 2-methoxynaphthalene-1-carbonyl chloride

2-methoxynaphthalene-1-carbonyl chloride (PubChem CID 3016662) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-methoxynaphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name2-methoxynaphthalene-1-carbonyl chloride
PubChem CID3016662
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name2-methoxynaphthalene-1-carbonyl chloride
SMILESCOc1ccc2ccccc2c1C(=O)Cl
InChIInChI=1S/C12H9ClO2/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChIKeySXPBNKRSGVLWJQ-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
trideuteriomethyl (E)-3-chloro-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 134835064
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
2-bromonaphthalene-1-carbonyl chloride;ethane
CID 144648611
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
CID 146007288
methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
5-bromo-1-(2-methoxynaphthalen-1-yl)pentan-1-one
CID 146007275
2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 146007268

Frequently Asked Questions

What is the IUPAC name of 2-methoxynaphthalene-1-carbonyl chloride?
The IUPAC name of 2-methoxynaphthalene-1-carbonyl chloride (CID 3016662) is 2-methoxynaphthalene-1-carbonyl chloride.
What is the SMILES notation for 2-methoxynaphthalene-1-carbonyl chloride?
The canonical SMILES for 2-methoxynaphthalene-1-carbonyl chloride is COc1ccc2ccccc2c1C(=O)Cl.
What is the InChIKey of 2-methoxynaphthalene-1-carbonyl chloride?
The InChIKey is SXPBNKRSGVLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3.
What are the key properties of 2-methoxynaphthalene-1-carbonyl chloride?
2-methoxynaphthalene-1-carbonyl chloride has a molecular weight of 220.66 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxynaphthalene-1-carbonyl chloride is sourced from PubChem (CID 3016662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).