3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde

C10H8O4 — CID 135980369

IUPAC3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
SMILESCOc1ccc2c(O)c(C=O)oc2c1
InChIInChI=1S/C10H8O4/c1-13-6-2-3-7-8(4-6)14-9(5-11)10(7)12/h2-5,12H,1H3
InChIKeyLABSWMNDBNRBHN-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.96
Rot. Bonds2

About 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde

3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde (PubChem CID 135980369) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
PubChem CID135980369
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
SMILESCOc1ccc2c(O)c(C=O)oc2c1
InChIInChI=1S/C10H8O4/c1-13-6-2-3-7-8(4-6)14-9(5-11)10(7)12/h2-5,12H,1H3
InChIKeyLABSWMNDBNRBHN-UHFFFAOYSA-N
XLogP1.96
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
CID 154079625
7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
CID 101286257
europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066413
5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde
CID 57019452
4-hydroxy-7-methoxy-3-(4-methylphenyl)sulfonylchromen-2-one
CID 54695448
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
4-hydroxy-3-(4-iodophenoxy)-7-methoxychromen-2-one
CID 54678677
2-(6-hydroxy-1,3-benzodioxol-5-yl)-6-methoxy-1-benzofuran-3-carbaldehyde
CID 11587670
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
CID 14104558
3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde?
The IUPAC name of 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde (CID 135980369) is 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde is COc1ccc2c(O)c(C=O)oc2c1.
What is the InChIKey of 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde?
The InChIKey is LABSWMNDBNRBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-13-6-2-3-7-8(4-6)14-9(5-11)10(7)12/h2-5,12H,1H3.
What are the key properties of 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde?
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde has a molecular weight of 192.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 135980369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).