8-methoxynaphthalene-1-carbonyl chloride

C12H9ClO2 — CID 14175958

IUPAC8-methoxynaphthalene-1-carbonyl chloride
SMILESCOc1cccc2cccc(C(=O)Cl)c12
InChIInChI=1S/C12H9ClO2/c1-15-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3
InChIKeyVDWPMNFMJANUHI-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.23
Rot. Bonds2

About 8-methoxynaphthalene-1-carbonyl chloride

8-methoxynaphthalene-1-carbonyl chloride (PubChem CID 14175958) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 8-methoxynaphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name8-methoxynaphthalene-1-carbonyl chloride
PubChem CID14175958
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name8-methoxynaphthalene-1-carbonyl chloride
SMILESCOc1cccc2cccc(C(=O)Cl)c12
InChIInChI=1S/C12H9ClO2/c1-15-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3
InChIKeyVDWPMNFMJANUHI-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

2-iodo-3-methoxybenzoyl chloride
CID 14104555
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
methyl 3-methoxy-2-methylbenzoate
CID 12527049
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
CID 10062032
4-methoxy-1H-indazole-3-carbonyl chloride
CID 76846252
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
naphthalene-1,2,3,8-tetracarbonyl chloride
CID 91440128
1-methoxy-8-propylnaphthalene
CID 22401887

Frequently Asked Questions

What is the IUPAC name of 8-methoxynaphthalene-1-carbonyl chloride?
The IUPAC name of 8-methoxynaphthalene-1-carbonyl chloride (CID 14175958) is 8-methoxynaphthalene-1-carbonyl chloride.
What is the SMILES notation for 8-methoxynaphthalene-1-carbonyl chloride?
The canonical SMILES for 8-methoxynaphthalene-1-carbonyl chloride is COc1cccc2cccc(C(=O)Cl)c12.
What is the InChIKey of 8-methoxynaphthalene-1-carbonyl chloride?
The InChIKey is VDWPMNFMJANUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-15-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7H,1H3.
What are the key properties of 8-methoxynaphthalene-1-carbonyl chloride?
8-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 8-methoxynaphthalene-1-carbonyl chloride is sourced from PubChem (CID 14175958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).