1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran

C26H28O — CID 175323027

IUPAC1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran
SMILESC1=CCOC=C1.CCCC1=CCCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C21H22.C5H6O/c1-2-6-15-8-5-10-19-18(15)13-14-20-17-9-4-3-7-16(17)11-12-21(19)20;1-2-4-6-5-3-1/h3-4,7-9,13-14H,2,5-6,10-12H2,1H3;1-4H,5H2
InChIKeyFVSDWZPJBZWFLB-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.67
Rot. Bonds2

About 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran

1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran (PubChem CID 175323027) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran.

Molecular Properties

Compound Name1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran
PubChem CID175323027
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran
SMILESC1=CCOC=C1.CCCC1=CCCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C21H22.C5H6O/c1-2-6-15-8-5-10-19-18(15)13-14-20-17-9-4-3-7-16(17)11-12-21(19)20;1-2-4-6-5-3-1/h3-4,7-9,13-14H,2,5-6,10-12H2,1H3;1-4H,5H2
InChIKeyFVSDWZPJBZWFLB-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran 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 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran?
The IUPAC name of 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran (CID 175323027) is 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran.
What is the SMILES notation for 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran?
The canonical SMILES for 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran is C1=CCOC=C1.CCCC1=CCCc2c1ccc1c2CCc2ccccc2-1.
What is the InChIKey of 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran?
The InChIKey is FVSDWZPJBZWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22.C5H6O/c1-2-6-15-8-5-10-19-18(15)13-14-20-17-9-4-3-7-16(17)11-12-21(19)20;1-2-4-6-5-3-1/h3-4,7-9,13-14H,2,5-6,10-12H2,1H3;1-4H,5H2.
What are the key properties of 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran?
1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran has a molecular weight of 356.51 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran is sourced from PubChem (CID 175323027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).