10-bromo-2-butylanthracene

C18H17Br — CID 155699730

IUPAC10-bromo-2-butylanthracene
SMILESCCCCc1ccc2c(Br)c3ccccc3cc2c1
InChIInChI=1S/C18H17Br/c1-2-3-6-13-9-10-17-15(11-13)12-14-7-4-5-8-16(14)18(17)19/h4-5,7-12H,2-3,6H2,1H3
InChIKeyLLDRQJLKDBHXOH-UHFFFAOYSA-N
MW313.24 g/mol
LogP6.10
Rot. Bonds3

About 10-bromo-2-butylanthracene

10-bromo-2-butylanthracene (PubChem CID 155699730) has the molecular formula C18H17Br and a molecular weight of 313.24 g/mol. Its IUPAC name is 10-bromo-2-butylanthracene.

Molecular Properties

Compound Name10-bromo-2-butylanthracene
PubChem CID155699730
Molecular FormulaC18H17Br
Molecular Weight313.24 g/mol
Exact Mass312.05
IUPAC Name10-bromo-2-butylanthracene
SMILESCCCCc1ccc2c(Br)c3ccccc3cc2c1
InChIInChI=1S/C18H17Br/c1-2-3-6-13-9-10-17-15(11-13)12-14-7-4-5-8-16(14)18(17)19/h4-5,7-12H,2-3,6H2,1H3
InChIKeyLLDRQJLKDBHXOH-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 56.10
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-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
6,13-dibromo-2-tetracosylpentacene
CID 162372248
CID 155699722
CID 155699722
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
2-octylanthracene
CID 23131226
9,10-dibromo-2,6-didecylanthracene
CID 141357715
6-pentylnaphthalen-1-ol
CID 69480806
2-butyl-6-propylnaphthalene;propane
CID 123540121
3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
CID 158031871
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
ethane;2-hexylnaphthalene
CID 142191207

Frequently Asked Questions

What is the IUPAC name of 10-bromo-2-butylanthracene?
The IUPAC name of 10-bromo-2-butylanthracene (CID 155699730) is 10-bromo-2-butylanthracene.
What is the SMILES notation for 10-bromo-2-butylanthracene?
The canonical SMILES for 10-bromo-2-butylanthracene is CCCCc1ccc2c(Br)c3ccccc3cc2c1.
What is the InChIKey of 10-bromo-2-butylanthracene?
The InChIKey is LLDRQJLKDBHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br/c1-2-3-6-13-9-10-17-15(11-13)12-14-7-4-5-8-16(14)18(17)19/h4-5,7-12H,2-3,6H2,1H3.
What are the key properties of 10-bromo-2-butylanthracene?
10-bromo-2-butylanthracene has a molecular weight of 313.24 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2-butylanthracene is sourced from PubChem (CID 155699730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).