2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron

C9H9O2+ — CID 174503154

IUPAC2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron
SMILESO=CC1Cc2ccccc2O1.[H+]
InChIInChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,6,8H,5H2/p+1
InChIKeyJYVISNVMXVDFES-UHFFFAOYSA-O
MW149.17 g/mol
LogP1.30
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron

2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron (PubChem CID 174503154) has the molecular formula C9H9O2+ and a molecular weight of 149.17 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron
PubChem CID174503154
Molecular FormulaC9H9O2+
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron
SMILESO=CC1Cc2ccccc2O1.[H+]
InChIInChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,6,8H,5H2/p+1
InChIKeyJYVISNVMXVDFES-UHFFFAOYSA-O
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
7-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 86087175
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
(2S,3R)-3-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392607
(2S)-2-ethenyl-3,4-dihydro-2H-chromene
CID 57124320
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193
(2S,3S)-3-phenyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 10658583
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron (CID 174503154) is 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron is O=CC1Cc2ccccc2O1.[H+].
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron?
The InChIKey is JYVISNVMXVDFES-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,6,8H,5H2/p+1.
What are the key properties of 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron?
2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron has a molecular weight of 149.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-carbaldehyde;hydron is sourced from PubChem (CID 174503154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).