(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde

C19H14O2 — CID 132546751

IUPAC(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde
SMILESO=CC1=Cc2c(oc3ccccc23)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H14O2/c20-12-14-10-17-15-8-4-5-9-18(15)21-19(17)11-16(14)13-6-2-1-3-7-13/h1-10,12,16H,11H2/t16-/m1/s1
InChIKeyLHTAAADGPNAUCC-MRXNPFEDSA-N
MW274.32 g/mol
LogP4.36
Rot. Bonds2

About (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde

(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde (PubChem CID 132546751) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde
PubChem CID132546751
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde
SMILESO=CC1=Cc2c(oc3ccccc23)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H14O2/c20-12-14-10-17-15-8-4-5-9-18(15)21-19(17)11-16(14)13-6-2-1-3-7-13/h1-10,12,16H,11H2/t16-/m1/s1
InChIKeyLHTAAADGPNAUCC-MRXNPFEDSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.36
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 (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde?
The IUPAC name of (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde (CID 132546751) is (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde.
What is the SMILES notation for (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde?
The canonical SMILES for (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde is O=CC1=Cc2c(oc3ccccc23)C[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde?
The InChIKey is LHTAAADGPNAUCC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14O2/c20-12-14-10-17-15-8-4-5-9-18(15)21-19(17)11-16(14)13-6-2-1-3-7-13/h1-10,12,16H,11H2/t16-/m1/s1.
What are the key properties of (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde?
(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde is sourced from PubChem (CID 132546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).