5-ethyl-1,2,3,4-tetrahydroanthracene

C16H18 — CID 141269354

IUPAC5-ethyl-1,2,3,4-tetrahydroanthracene
SMILESCCc1cccc2cc3c(cc12)CCCC3
InChIInChI=1S/C16H18/c1-2-12-8-5-9-15-10-13-6-3-4-7-14(13)11-16(12)15/h5,8-11H,2-4,6-7H2,1H3
InChIKeyVYQDECJRVXMGBN-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.28
Rot. Bonds1

About 5-ethyl-1,2,3,4-tetrahydroanthracene

5-ethyl-1,2,3,4-tetrahydroanthracene (PubChem CID 141269354) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4-tetrahydroanthracene.

Molecular Properties

Compound Name5-ethyl-1,2,3,4-tetrahydroanthracene
PubChem CID141269354
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name5-ethyl-1,2,3,4-tetrahydroanthracene
SMILESCCc1cccc2cc3c(cc12)CCCC3
InChIInChI=1S/C16H18/c1-2-12-8-5-9-15-10-13-6-3-4-7-14(13)11-16(12)15/h5,8-11H,2-4,6-7H2,1H3
InChIKeyVYQDECJRVXMGBN-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-7-methylnaphthalene
CID 12778771
1-ethyl-7-fluoronaphthalene
CID 166534047
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
1-ethylanthracene;formic acid
CID 175485335
azane;1-ethylnaphthalene
CID 19048185
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
sodium;1-ethylnaphthalene;hydride
CID 174300793
6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one
CID 125464395
5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
CID 166553359
ethane;5-ethyl-1,2,3,4-tetrahydronaphthalene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
CID 142243189
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
4-ethylanthracen-9-amine
CID 23131445

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4-tetrahydroanthracene?
The IUPAC name of 5-ethyl-1,2,3,4-tetrahydroanthracene (CID 141269354) is 5-ethyl-1,2,3,4-tetrahydroanthracene.
What is the SMILES notation for 5-ethyl-1,2,3,4-tetrahydroanthracene?
The canonical SMILES for 5-ethyl-1,2,3,4-tetrahydroanthracene is CCc1cccc2cc3c(cc12)CCCC3.
What is the InChIKey of 5-ethyl-1,2,3,4-tetrahydroanthracene?
The InChIKey is VYQDECJRVXMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-2-12-8-5-9-15-10-13-6-3-4-7-14(13)11-16(12)15/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of 5-ethyl-1,2,3,4-tetrahydroanthracene?
5-ethyl-1,2,3,4-tetrahydroanthracene has a molecular weight of 210.32 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4-tetrahydroanthracene is sourced from PubChem (CID 141269354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).