6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene

C20H23BrO — CID 123744207

IUPAC6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene
SMILESC=C(C)C(=CC)C(C)=CC(=C)C1CCc2cc(Br)ccc2O1
InChIInChI=1S/C20H23BrO/c1-6-18(13(2)3)14(4)11-15(5)19-9-7-16-12-17(21)8-10-20(16)22-19/h6,8,10-12,19H,2,5,7,9H2,1,3-4H3
InChIKeyLRANWWULECFETA-UHFFFAOYSA-N
MW359.31 g/mol
LogP6.17
Rot. Bonds4

About 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene

6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene (PubChem CID 123744207) has the molecular formula C20H23BrO and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene
PubChem CID123744207
Molecular FormulaC20H23BrO
Molecular Weight359.31 g/mol
Exact Mass358.09
IUPAC Name6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene
SMILESC=C(C)C(=CC)C(C)=CC(=C)C1CCc2cc(Br)ccc2O1
InChIInChI=1S/C20H23BrO/c1-6-18(13(2)3)14(4)11-15(5)19-9-7-16-12-17(21)8-10-20(16)22-19/h6,8,10-12,19H,2,5,7,9H2,1,3-4H3
InChIKeyLRANWWULECFETA-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene (CID 123744207) is 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene is C=C(C)C(=CC)C(C)=CC(=C)C1CCc2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene?
The InChIKey is LRANWWULECFETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrO/c1-6-18(13(2)3)14(4)11-15(5)19-9-7-16-12-17(21)8-10-20(16)22-19/h6,8,10-12,19H,2,5,7,9H2,1,3-4H3.
What are the key properties of 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene?
6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene has a molecular weight of 359.31 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 123744207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).