2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde

C13H12O3S — CID 145071221

IUPAC2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
SMILESCOc1ccc2cc(S(C)=O)ccc2c1C=O
InChIInChI=1S/C13H12O3S/c1-16-13-6-3-9-7-10(17(2)15)4-5-11(9)12(13)8-14/h3-8H,1-2H3
InChIKeyGGCZLAIOQDYHCL-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.40
Rot. Bonds3

About 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde

2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde (PubChem CID 145071221) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
PubChem CID145071221
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
SMILESCOc1ccc2cc(S(C)=O)ccc2c1C=O
InChIInChI=1S/C13H12O3S/c1-16-13-6-3-9-7-10(17(2)15)4-5-11(9)12(13)8-14/h3-8H,1-2H3
InChIKeyGGCZLAIOQDYHCL-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
(E)-3-(5-formyl-6-methoxynaphthalen-2-yl)prop-2-enoic acid
CID 155369741
N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
CID 130392131
2,7-dimethoxy-6-methylsulfonylnaphthalene-1-carbaldehyde
CID 130391944
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
7-methoxyisoquinoline-8-carbaldehyde
CID 82573729
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
methyl 2-methoxy-5-methylsulfinylbenzoate
CID 18464431
6-methoxy-5-methylnaphthalene-2-carbaldehyde
CID 58518906
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde (CID 145071221) is 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde is COc1ccc2cc(S(C)=O)ccc2c1C=O.
What is the InChIKey of 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde?
The InChIKey is GGCZLAIOQDYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-13-6-3-9-7-10(17(2)15)4-5-11(9)12(13)8-14/h3-8H,1-2H3.
What are the key properties of 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde?
2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde has a molecular weight of 248.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 145071221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).