7-methyl-1-propan-2-ylanthracene

C18H18 — CID 144739282

IUPAC7-methyl-1-propan-2-ylanthracene
SMILESCc1ccc2cc3cccc(C(C)C)c3cc2c1
InChIInChI=1S/C18H18/c1-12(2)17-6-4-5-15-10-14-8-7-13(3)9-16(14)11-18(15)17/h4-12H,1-3H3
InChIKeyWJILRCNIXAEWRP-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.42
Rot. Bonds1

About 7-methyl-1-propan-2-ylanthracene

7-methyl-1-propan-2-ylanthracene (PubChem CID 144739282) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-methyl-1-propan-2-ylanthracene.

Molecular Properties

Compound Name7-methyl-1-propan-2-ylanthracene
PubChem CID144739282
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name7-methyl-1-propan-2-ylanthracene
SMILESCc1ccc2cc3cccc(C(C)C)c3cc2c1
InChIInChI=1S/C18H18/c1-12(2)17-6-4-5-15-10-14-8-7-13(3)9-16(14)11-18(15)17/h4-12H,1-3H3
InChIKeyWJILRCNIXAEWRP-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.42
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

ethane;7-methyl-1-propan-2-ylnaphthalene
CID 177009970
bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
CID 160772436
1,6-dimethylanthracene;ethane
CID 142009331
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
9-methylanthracene;2-methylnaphthalene
CID 159699144
2,9-dimethylpentacene
CID 11460950
benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
lithium;hydride;2-methylnaphthalene
CID 175090071
2-(6-methylnaphthalen-1-yl)propan-1-ol
CID 105452929

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propan-2-ylanthracene?
The IUPAC name of 7-methyl-1-propan-2-ylanthracene (CID 144739282) is 7-methyl-1-propan-2-ylanthracene.
What is the SMILES notation for 7-methyl-1-propan-2-ylanthracene?
The canonical SMILES for 7-methyl-1-propan-2-ylanthracene is Cc1ccc2cc3cccc(C(C)C)c3cc2c1.
What is the InChIKey of 7-methyl-1-propan-2-ylanthracene?
The InChIKey is WJILRCNIXAEWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12(2)17-6-4-5-15-10-14-8-7-13(3)9-16(14)11-18(15)17/h4-12H,1-3H3.
What are the key properties of 7-methyl-1-propan-2-ylanthracene?
7-methyl-1-propan-2-ylanthracene has a molecular weight of 234.34 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propan-2-ylanthracene is sourced from PubChem (CID 144739282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).