2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride

C9H9ClO3 — CID 70040488

IUPAC2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1OCC2
InChIInChI=1S/C9H8O3.ClH/c10-9(11)7-3-1-2-6-4-5-12-8(6)7;/h1-3H,4-5H2,(H,10,11);1H
InChIKeyZPBMTBKVPOIXDM-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.74
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride

2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride (PubChem CID 70040488) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
PubChem CID70040488
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1OCC2
InChIInChI=1S/C9H8O3.ClH/c10-9(11)7-3-1-2-6-4-5-12-8(6)7;/h1-3H,4-5H2,(H,10,11);1H
InChIKeyZPBMTBKVPOIXDM-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
CID 83895167
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
CID 114746359
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride (CID 70040488) is 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride?
The InChIKey is ZPBMTBKVPOIXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.ClH/c10-9(11)7-3-1-2-6-4-5-12-8(6)7;/h1-3H,4-5H2,(H,10,11);1H.
What are the key properties of 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride?
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride has a molecular weight of 200.62 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 70040488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).