6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde

C20H21NO2 — CID 24858679

IUPAC6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2=CC=C(C=O)C(c3ccc(N(C)C)cc3)C2)o1
InChIInChI=1S/C20H21NO2/c1-14-4-11-20(23-14)16-5-6-17(13-22)19(12-16)15-7-9-18(10-8-15)21(2)3/h4-11,13,19H,12H2,1-3H3
InChIKeyUOFSOVJKPXAWJW-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.35
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde

6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24858679) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24858679
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2=CC=C(C=O)C(c3ccc(N(C)C)cc3)C2)o1
InChIInChI=1S/C20H21NO2/c1-14-4-11-20(23-14)16-5-6-17(13-22)19(12-16)15-7-9-18(10-8-15)21(2)3/h4-11,13,19H,12H2,1-3H3
InChIKeyUOFSOVJKPXAWJW-UHFFFAOYSA-N
XLogP4.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde (CID 24858679) is 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde is Cc1ccc(C2=CC=C(C=O)C(c3ccc(N(C)C)cc3)C2)o1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is UOFSOVJKPXAWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-4-11-20(23-14)16-5-6-17(13-22)19(12-16)15-7-9-18(10-8-15)21(2)3/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde?
6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 307.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24858679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).