8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene

C20H19Cl — CID 174546947

IUPAC8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene
SMILESCCC1=c2ccc3c(c2CCC1)CC=c1cc(Cl)ccc1=3
InChIInChI=1S/C20H19Cl/c1-2-13-4-3-5-18-16(13)10-11-19-17-9-7-15(21)12-14(17)6-8-20(18)19/h6-7,9-12H,2-5,8H2,1H3
InChIKeyUSZDQSIHSFWVAT-UHFFFAOYSA-N
MW294.82 g/mol
LogP3.86
Rot. Bonds1

About 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene

8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene (PubChem CID 174546947) has the molecular formula C20H19Cl and a molecular weight of 294.82 g/mol. Its IUPAC name is 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene
PubChem CID174546947
Molecular FormulaC20H19Cl
Molecular Weight294.82 g/mol
Exact Mass294.12
IUPAC Name8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene
SMILESCCC1=c2ccc3c(c2CCC1)CC=c1cc(Cl)ccc1=3
InChIInChI=1S/C20H19Cl/c1-2-13-4-3-5-18-16(13)10-11-19-17-9-7-15(21)12-14(17)6-8-20(18)19/h6-7,9-12H,2-5,8H2,1H3
InChIKeyUSZDQSIHSFWVAT-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene (CID 174546947) is 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene is CCC1=c2ccc3c(c2CCC1)CC=c1cc(Cl)ccc1=3.
What is the InChIKey of 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene?
The InChIKey is USZDQSIHSFWVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl/c1-2-13-4-3-5-18-16(13)10-11-19-17-9-7-15(21)12-14(17)6-8-20(18)19/h6-7,9-12H,2-5,8H2,1H3.
What are the key properties of 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene?
8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene has a molecular weight of 294.82 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174546947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).