4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde

C18H18O2 — CID 23114137

IUPAC4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde
SMILESCc1cc(C)c2c(c1C)OCC2c1ccc(C=O)cc1
InChIInChI=1S/C18H18O2/c1-11-8-12(2)17-16(10-20-18(17)13(11)3)15-6-4-14(9-19)5-7-15/h4-9,16H,10H2,1-3H3
InChIKeyFPGPTUONAMOYAJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.95
Rot. Bonds2

About 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde

4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde (PubChem CID 23114137) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde
PubChem CID23114137
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde
SMILESCc1cc(C)c2c(c1C)OCC2c1ccc(C=O)cc1
InChIInChI=1S/C18H18O2/c1-11-8-12(2)17-16(10-20-18(17)13(11)3)15-6-4-14(9-19)5-7-15/h4-9,16H,10H2,1-3H3
InChIKeyFPGPTUONAMOYAJ-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde?
The IUPAC name of 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde (CID 23114137) is 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde.
What is the SMILES notation for 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde?
The canonical SMILES for 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde is Cc1cc(C)c2c(c1C)OCC2c1ccc(C=O)cc1.
What is the InChIKey of 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde?
The InChIKey is FPGPTUONAMOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-8-12(2)17-16(10-20-18(17)13(11)3)15-6-4-14(9-19)5-7-15/h4-9,16H,10H2,1-3H3.
What are the key properties of 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde?
4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde has a molecular weight of 266.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde is sourced from PubChem (CID 23114137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).