1-methyl-7-propylanthracene

C18H18 — CID 174764021

IUPAC1-methyl-7-propylanthracene
SMILESCCCc1ccc2cc3cccc(C)c3cc2c1
InChIInChI=1S/C18H18/c1-3-5-14-8-9-15-11-16-7-4-6-13(2)18(16)12-17(15)10-14/h4,6-12H,3,5H2,1-2H3
InChIKeyGVMRVSGYYWLZBU-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.25
Rot. Bonds2

About 1-methyl-7-propylanthracene

1-methyl-7-propylanthracene (PubChem CID 174764021) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-7-propylanthracene.

Molecular Properties

Compound Name1-methyl-7-propylanthracene
PubChem CID174764021
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-methyl-7-propylanthracene
SMILESCCCc1ccc2cc3cccc(C)c3cc2c1
InChIInChI=1S/C18H18/c1-3-5-14-8-9-15-11-16-7-4-6-13(2)18(16)12-17(15)10-14/h4,6-12H,3,5H2,1-2H3
InChIKeyGVMRVSGYYWLZBU-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.25
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

3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
2-butyl-6-propylnaphthalene;propane
CID 123540121
1,6-dimethylanthracene;ethane
CID 142009331
2-butyl-6-propylnaphthalene
CID 58232616
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
2-methyl-7-propylnaphthalene
CID 59912073
2-octylanthracene
CID 23131226
ethane;2-ethylnaphthalene;methane;1-methylnaphthalene
CID 144603331
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
1-fluoro-7-propylphenanthrene
CID 141032936

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propylanthracene?
The IUPAC name of 1-methyl-7-propylanthracene (CID 174764021) is 1-methyl-7-propylanthracene.
What is the SMILES notation for 1-methyl-7-propylanthracene?
The canonical SMILES for 1-methyl-7-propylanthracene is CCCc1ccc2cc3cccc(C)c3cc2c1.
What is the InChIKey of 1-methyl-7-propylanthracene?
The InChIKey is GVMRVSGYYWLZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-3-5-14-8-9-15-11-16-7-4-6-13(2)18(16)12-17(15)10-14/h4,6-12H,3,5H2,1-2H3.
What are the key properties of 1-methyl-7-propylanthracene?
1-methyl-7-propylanthracene has a molecular weight of 234.34 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propylanthracene is sourced from PubChem (CID 174764021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).