3-methoxy-5-methylnaphthalene-1-carbonyl chloride

C13H11ClO2 — CID 11075375

IUPAC3-methoxy-5-methylnaphthalene-1-carbonyl chloride
SMILESCOc1cc(C(=O)Cl)c2cccc(C)c2c1
InChIInChI=1S/C13H11ClO2/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3
InChIKeyYSPFUHSXJBOOIB-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.54
Rot. Bonds2

About 3-methoxy-5-methylnaphthalene-1-carbonyl chloride

3-methoxy-5-methylnaphthalene-1-carbonyl chloride (PubChem CID 11075375) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 3-methoxy-5-methylnaphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name3-methoxy-5-methylnaphthalene-1-carbonyl chloride
PubChem CID11075375
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name3-methoxy-5-methylnaphthalene-1-carbonyl chloride
SMILESCOc1cc(C(=O)Cl)c2cccc(C)c2c1
InChIInChI=1S/C13H11ClO2/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3
InChIKeyYSPFUHSXJBOOIB-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-5-methylnaphthalene-1-carbonyl chloride 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

3-methoxy-5-(trideuteriomethyl)naphthalene-1-carboxylic acid
CID 101364670
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
2-bromo-5-methoxy-3-methylbenzoyl chloride
CID 171004545
[2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate
CID 89150272
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
chrysene-6,12-dicarbonyl chloride
CID 139611944
3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride
CID 87835079
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
N,N'-bis[(3-methoxy-5-methylnaphthalen-1-yl)methyl]propane-1,3-diamine
CID 132606817

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methylnaphthalene-1-carbonyl chloride?
The IUPAC name of 3-methoxy-5-methylnaphthalene-1-carbonyl chloride (CID 11075375) is 3-methoxy-5-methylnaphthalene-1-carbonyl chloride.
What is the SMILES notation for 3-methoxy-5-methylnaphthalene-1-carbonyl chloride?
The canonical SMILES for 3-methoxy-5-methylnaphthalene-1-carbonyl chloride is COc1cc(C(=O)Cl)c2cccc(C)c2c1.
What is the InChIKey of 3-methoxy-5-methylnaphthalene-1-carbonyl chloride?
The InChIKey is YSPFUHSXJBOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3.
What are the key properties of 3-methoxy-5-methylnaphthalene-1-carbonyl chloride?
3-methoxy-5-methylnaphthalene-1-carbonyl chloride has a molecular weight of 234.68 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methylnaphthalene-1-carbonyl chloride is sourced from PubChem (CID 11075375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).