5-methoxynaphthalene-1-sulfinic acid

C11H10O3S — CID 21331486

IUPAC5-methoxynaphthalene-1-sulfinic acid
SMILESCOc1cccc2c(S(=O)O)cccc12
InChIInChI=1S/C11H10O3S/c1-14-10-6-2-5-9-8(10)4-3-7-11(9)15(12)13/h2-7H,1H3,(H,12,13)
InChIKeyLMQUKAYYMKLZFT-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.43
Rot. Bonds2

About 5-methoxynaphthalene-1-sulfinic acid

5-methoxynaphthalene-1-sulfinic acid (PubChem CID 21331486) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methoxynaphthalene-1-sulfinic acid.

Molecular Properties

Compound Name5-methoxynaphthalene-1-sulfinic acid
PubChem CID21331486
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name5-methoxynaphthalene-1-sulfinic acid
SMILESCOc1cccc2c(S(=O)O)cccc12
InChIInChI=1S/C11H10O3S/c1-14-10-6-2-5-9-8(10)4-3-7-11(9)15(12)13/h2-7H,1H3,(H,12,13)
InChIKeyLMQUKAYYMKLZFT-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxybenzenesulfinic acid;zinc
CID 175016195
2-methoxy-3-methylbenzenesulfinic acid
CID 147294826
2,6-dimethoxybenzenesulfinic acid
CID 12746143
2-(2-bromo-3-methoxyphenyl)benzenesulfinic acid
CID 118689823
(5-methoxynaphthalen-1-yl) formate
CID 11447000
sodium;hydride;5-phenylnaphthalene-1-sulfinic acid
CID 173440733
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
methanol;1-methoxynaphthalene;neptunium
CID 157299455
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
potassium 2-methoxybenzenesulfinate
CID 70117508

Frequently Asked Questions

What is the IUPAC name of 5-methoxynaphthalene-1-sulfinic acid?
The IUPAC name of 5-methoxynaphthalene-1-sulfinic acid (CID 21331486) is 5-methoxynaphthalene-1-sulfinic acid.
What is the SMILES notation for 5-methoxynaphthalene-1-sulfinic acid?
The canonical SMILES for 5-methoxynaphthalene-1-sulfinic acid is COc1cccc2c(S(=O)O)cccc12.
What is the InChIKey of 5-methoxynaphthalene-1-sulfinic acid?
The InChIKey is LMQUKAYYMKLZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-14-10-6-2-5-9-8(10)4-3-7-11(9)15(12)13/h2-7H,1H3,(H,12,13).
What are the key properties of 5-methoxynaphthalene-1-sulfinic acid?
5-methoxynaphthalene-1-sulfinic acid has a molecular weight of 222.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxynaphthalene-1-sulfinic acid is sourced from PubChem (CID 21331486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).