4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde

C11H10O3 — CID 82374430

IUPAC4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
SMILESCOc1c(C=O)cc(C)c2occc12
InChIInChI=1S/C11H10O3/c1-7-5-8(6-12)11(13-2)9-3-4-14-10(7)9/h3-6H,1-2H3
InChIKeyAAQXRMMLIQONFM-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.56
Rot. Bonds2

About 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde

4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde (PubChem CID 82374430) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
PubChem CID82374430
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
SMILESCOc1c(C=O)cc(C)c2occc12
InChIInChI=1S/C11H10O3/c1-7-5-8(6-12)11(13-2)9-3-4-14-10(7)9/h3-6H,1-2H3
InChIKeyAAQXRMMLIQONFM-UHFFFAOYSA-N
XLogP2.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
4-methylfuro[3,2-e][1]benzofuran
CID 170151915
4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
4,9-dimethoxy-7-methyl-5-oxofuro[3,2-g]chromene-6-carbaldehyde
CID 101182137
naphtho[1,2-g][1]benzofuran-11-carbaldehyde
CID 14770244
4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 82374449
benzo[e][1]benzofuran-4-carbaldehyde
CID 102499967
8-methoxy-10H-furo[3,2-a]carbazole-4-carbaldehyde
CID 11149760
4,7-dimethyl-1-benzofuran-5-amine
CID 45122665
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
(E)-3-(4,7-dimethoxy-1-benzofuran-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 156702988

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde?
The IUPAC name of 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde (CID 82374430) is 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde is COc1c(C=O)cc(C)c2occc12.
What is the InChIKey of 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde?
The InChIKey is AAQXRMMLIQONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-5-8(6-12)11(13-2)9-3-4-14-10(7)9/h3-6H,1-2H3.
What are the key properties of 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde?
4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 82374430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).