1-propyl-3,4,5,6-tetrahydrochrysene

C21H22 — CID 174923290

IUPAC1-propyl-3,4,5,6-tetrahydrochrysene
SMILESCCCC1=CCCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C21H22/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/h3-4,7-9,13-14H,2,5-6,10-12H2,1H3
InChIKeyIGJMJZLJOJGZBA-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.58
Rot. Bonds2

About 1-propyl-3,4,5,6-tetrahydrochrysene

1-propyl-3,4,5,6-tetrahydrochrysene (PubChem CID 174923290) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-propyl-3,4,5,6-tetrahydrochrysene.

Molecular Properties

Compound Name1-propyl-3,4,5,6-tetrahydrochrysene
PubChem CID174923290
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-propyl-3,4,5,6-tetrahydrochrysene
SMILESCCCC1=CCCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C21H22/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/h3-4,7-9,13-14H,2,5-6,10-12H2,1H3
InChIKeyIGJMJZLJOJGZBA-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propyl-3,4,5,6-tetrahydrochrysene;2H-pyran
CID 175323027
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CID 174304222
7-methyl-4-propyl-1,2-dihydronaphthalene
CID 145183913
9,10-dihydrophenanthrene;ethane
CID 143759681
dichlorozirconium;3-propyl-1H-indene
CID 175084745
isoindole-1,3-dione;1-phenyl-3,4,5,6-tetrahydrochrysene
CID 175314478
3,4-dihydronaphthalen-1-ylmethanamine;ethane
CID 91513881
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
4-(fluoromethyl)-1,2-dihydronaphthalene
CID 70203270
2-(5-chloro-3,4-dihydronaphthalen-1-yl)ethanol
CID 11600917

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,4,5,6-tetrahydrochrysene?
The IUPAC name of 1-propyl-3,4,5,6-tetrahydrochrysene (CID 174923290) is 1-propyl-3,4,5,6-tetrahydrochrysene.
What is the SMILES notation for 1-propyl-3,4,5,6-tetrahydrochrysene?
The canonical SMILES for 1-propyl-3,4,5,6-tetrahydrochrysene is CCCC1=CCCc2c1ccc1c2CCc2ccccc2-1.
What is the InChIKey of 1-propyl-3,4,5,6-tetrahydrochrysene?
The InChIKey is IGJMJZLJOJGZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/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/h3-4,7-9,13-14H,2,5-6,10-12H2,1H3.
What are the key properties of 1-propyl-3,4,5,6-tetrahydrochrysene?
1-propyl-3,4,5,6-tetrahydrochrysene has a molecular weight of 274.41 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,4,5,6-tetrahydrochrysene is sourced from PubChem (CID 174923290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).