9,10-dibromo-2-ethyl-6-methylanthracene

C17H14Br2 — CID 141353803

IUPAC9,10-dibromo-2-ethyl-6-methylanthracene
SMILESCCc1ccc2c(Br)c3cc(C)ccc3c(Br)c2c1
InChIInChI=1S/C17H14Br2/c1-3-11-5-7-13-15(9-11)17(19)12-6-4-10(2)8-14(12)16(13)18/h4-9H,3H2,1-2H3
InChIKeyQFLGGJLEMJIJNB-UHFFFAOYSA-N
MW378.11 g/mol
LogP6.39
Rot. Bonds1

About 9,10-dibromo-2-ethyl-6-methylanthracene

9,10-dibromo-2-ethyl-6-methylanthracene (PubChem CID 141353803) has the molecular formula C17H14Br2 and a molecular weight of 378.11 g/mol. Its IUPAC name is 9,10-dibromo-2-ethyl-6-methylanthracene.

Molecular Properties

Compound Name9,10-dibromo-2-ethyl-6-methylanthracene
PubChem CID141353803
Molecular FormulaC17H14Br2
Molecular Weight378.11 g/mol
Exact Mass375.95
IUPAC Name9,10-dibromo-2-ethyl-6-methylanthracene
SMILESCCc1ccc2c(Br)c3cc(C)ccc3c(Br)c2c1
InChIInChI=1S/C17H14Br2/c1-3-11-5-7-13-15(9-11)17(19)12-6-4-10(2)8-14(12)16(13)18/h4-9H,3H2,1-2H3
InChIKeyQFLGGJLEMJIJNB-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.11
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7-methylphenanthrene
CID 59758331
9,10-dibromo-2,6-didecylanthracene
CID 141357715
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CID 82279891
32-ethyl-37-methyltetradecacyclo[25.17.2.22,5.26,9.03,23.04,20.07,19.08,16.010,15.024,45.028,41.029,34.035,40.042,46]pentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29(34),30,32,35(40),36,38,41,43,45,47,49-pentacosaene
CID 147389129
carbanide;6,18-diethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-diethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;ethane;6-ethyl-18-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;7-ethyl-16-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;hexadecakis(yttrium)
CID 161346794
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
2-methyl-11-propyltriphenylene
CID 163874505
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
2-ethyl-9,10-dimethylanthracene;methane
CID 157065860
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
3-bromo-2-(chloromethyl)-6-ethyl-1-benzothiophene
CID 131119351

Frequently Asked Questions

What is the IUPAC name of 9,10-dibromo-2-ethyl-6-methylanthracene?
The IUPAC name of 9,10-dibromo-2-ethyl-6-methylanthracene (CID 141353803) is 9,10-dibromo-2-ethyl-6-methylanthracene.
What is the SMILES notation for 9,10-dibromo-2-ethyl-6-methylanthracene?
The canonical SMILES for 9,10-dibromo-2-ethyl-6-methylanthracene is CCc1ccc2c(Br)c3cc(C)ccc3c(Br)c2c1.
What is the InChIKey of 9,10-dibromo-2-ethyl-6-methylanthracene?
The InChIKey is QFLGGJLEMJIJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2/c1-3-11-5-7-13-15(9-11)17(19)12-6-4-10(2)8-14(12)16(13)18/h4-9H,3H2,1-2H3.
What are the key properties of 9,10-dibromo-2-ethyl-6-methylanthracene?
9,10-dibromo-2-ethyl-6-methylanthracene has a molecular weight of 378.11 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromo-2-ethyl-6-methylanthracene is sourced from PubChem (CID 141353803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).