(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride

C10H11ClO4S — CID 84710860

IUPAC(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride
SMILESCOc1ccc2c(c1CS(=O)(=O)Cl)COC2
InChIInChI=1S/C10H11ClO4S/c1-14-10-3-2-7-4-15-5-8(7)9(10)6-16(11,12)13/h2-3H,4-6H2,1H3
InChIKeyQCRLGEGKVZNCJU-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.79
Rot. Bonds3

About (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride

(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride (PubChem CID 84710860) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride
PubChem CID84710860
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride
SMILESCOc1ccc2c(c1CS(=O)(=O)Cl)COC2
InChIInChI=1S/C10H11ClO4S/c1-14-10-3-2-7-4-15-5-8(7)9(10)6-16(11,12)13/h2-3H,4-6H2,1H3
InChIKeyQCRLGEGKVZNCJU-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
CID 117446964
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
CID 84710861
1-[(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methyl]piperazine
CID 117374087
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84807123
[2-(difluoromethyl)-6-methoxyphenyl]methanesulfonyl chloride
CID 117429504
(7-methoxy-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84710255
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135
3-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117406653

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride?
The IUPAC name of (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride (CID 84710860) is (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride?
The canonical SMILES for (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride is COc1ccc2c(c1CS(=O)(=O)Cl)COC2.
What is the InChIKey of (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride?
The InChIKey is QCRLGEGKVZNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-14-10-3-2-7-4-15-5-8(7)9(10)6-16(11,12)13/h2-3H,4-6H2,1H3.
What are the key properties of (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride?
(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride has a molecular weight of 262.71 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 84710860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).