7-ethyl-1,2,11,12-tetrahydrochrysene

C20H20 — CID 174435742

IUPAC7-ethyl-1,2,11,12-tetrahydrochrysene
SMILESCCc1cccc2c3c(ccc12)C1=C(CCC=C1)CC3
InChIInChI=1S/C20H20/c1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19/h4-5,7-9,12-13H,2-3,6,10-11H2,1H3
InChIKeyFFPIVUNPEZKYSC-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.45
Rot. Bonds1

About 7-ethyl-1,2,11,12-tetrahydrochrysene

7-ethyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174435742) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-ethyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name7-ethyl-1,2,11,12-tetrahydrochrysene
PubChem CID174435742
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name7-ethyl-1,2,11,12-tetrahydrochrysene
SMILESCCc1cccc2c3c(ccc12)C1=C(CCC=C1)CC3
InChIInChI=1S/C20H20/c1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19/h4-5,7-9,12-13H,2-3,6,10-11H2,1H3
InChIKeyFFPIVUNPEZKYSC-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 7-ethyl-1,2,11,12-tetrahydrochrysene (CID 174435742) is 7-ethyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 7-ethyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 7-ethyl-1,2,11,12-tetrahydrochrysene is CCc1cccc2c3c(ccc12)C1=C(CCC=C1)CC3.
What is the InChIKey of 7-ethyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is FFPIVUNPEZKYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-14-7-5-9-18-17(14)12-13-19-16-8-4-3-6-15(16)10-11-20(18)19/h4-5,7-9,12-13H,2-3,6,10-11H2,1H3.
What are the key properties of 7-ethyl-1,2,11,12-tetrahydrochrysene?
7-ethyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 260.38 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174435742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).