2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde

C17H16O4 — CID 63021641

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc3c(c2)COC3)cc1OC
InChIInChI=1S/C17H16O4/c1-19-16-6-13(8-18)15(7-17(16)20-2)11-3-4-12-9-21-10-14(12)5-11/h3-8H,9-10H2,1-2H3
InChIKeyDLQCYVQUJCPRCU-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.21
Rot. Bonds4

About 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde

2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde (PubChem CID 63021641) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde
PubChem CID63021641
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc3c(c2)COC3)cc1OC
InChIInChI=1S/C17H16O4/c1-19-16-6-13(8-18)15(7-17(16)20-2)11-3-4-12-9-21-10-14(12)5-11/h3-8H,9-10H2,1-2H3
InChIKeyDLQCYVQUJCPRCU-UHFFFAOYSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dihydro-2-benzofuran-5-yl)-5-fluorobenzaldehyde
CID 114078436
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
CID 54912502
3-(1,3-dihydro-2-benzofuran-5-yl)-1-propan-2-ylpyrazole-4-carbaldehyde
CID 66232962
1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde
CID 130026369
3-(1,3-dihydro-2-benzofuran-5-yl)-1-propylpyrazole-4-carbaldehyde
CID 66233166
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
7-(3,4-dimethoxyphenyl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one
CID 71447385
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-(7,8-dihydrobenzo[f][1,3]benzodioxol-6-yl)-4,5-dimethoxybenzaldehyde
CID 102036700
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde (CID 63021641) is 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)c(-c2ccc3c(c2)COC3)cc1OC.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde?
The InChIKey is DLQCYVQUJCPRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-16-6-13(8-18)15(7-17(16)20-2)11-3-4-12-9-21-10-14(12)5-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde?
2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde has a molecular weight of 284.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 63021641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).