7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid

C14H14O3S — CID 163913635

IUPAC7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid
SMILESCC1=Cc2c(oc3ccc(S(=O)O)cc23)CC1C
InChIInChI=1S/C14H14O3S/c1-8-5-11-12-7-10(18(15)16)3-4-13(12)17-14(11)6-9(8)2/h3-5,7,9H,6H2,1-2H3,(H,15,16)
InChIKeyNHWWRNPCLPJNDO-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.61
Rot. Bonds1

About 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid

7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid (PubChem CID 163913635) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid.

Molecular Properties

Compound Name7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid
PubChem CID163913635
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid
SMILESCC1=Cc2c(oc3ccc(S(=O)O)cc23)CC1C
InChIInChI=1S/C14H14O3S/c1-8-5-11-12-7-10(18(15)16)3-4-13(12)17-14(11)6-9(8)2/h3-5,7,9H,6H2,1-2H3,(H,15,16)
InChIKeyNHWWRNPCLPJNDO-UHFFFAOYSA-N
XLogP3.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid?
The IUPAC name of 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid (CID 163913635) is 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid.
What is the SMILES notation for 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid?
The canonical SMILES for 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid is CC1=Cc2c(oc3ccc(S(=O)O)cc23)CC1C.
What is the InChIKey of 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid?
The InChIKey is NHWWRNPCLPJNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-8-5-11-12-7-10(18(15)16)3-4-13(12)17-14(11)6-9(8)2/h3-5,7,9H,6H2,1-2H3,(H,15,16).
What are the key properties of 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid?
7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid has a molecular weight of 262.33 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6,7-dihydrodibenzofuran-2-sulfinic acid is sourced from PubChem (CID 163913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).