butane;2-methylanthracene

C19H22 — CID 90696557

IUPACbutane;2-methylanthracene
SMILESCCCC.Cc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H12.C4H10/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-3-4-2/h2-10H,1H3;3-4H2,1-2H3
InChIKeyLGVKZMVYVLCTDX-UHFFFAOYSA-N
MW250.38 g/mol
LogP6.11
Rot. Bonds1

About butane;2-methylanthracene

butane;2-methylanthracene (PubChem CID 90696557) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is butane;2-methylanthracene.

Molecular Properties

Compound Namebutane;2-methylanthracene
PubChem CID90696557
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Namebutane;2-methylanthracene
SMILESCCCC.Cc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H12.C4H10/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-3-4-2/h2-10H,1H3;3-4H2,1-2H3
InChIKeyLGVKZMVYVLCTDX-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 56.11
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

2,6-dimethylnaphthalene;propane
CID 142191183
butan-1-ol;2-methylanthracene
CID 157365265
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2,9-dimethylpentacene
CID 11460950
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
lithium;hydride;2-methylnaphthalene
CID 175090071
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
anthracene-9,10-dione;2-methylanthracene
CID 159482173
2-methylnaphthalene;1,2-xylene
CID 142041411
9-methylanthracene;2-methylnaphthalene
CID 159699144

Frequently Asked Questions

What is the IUPAC name of butane;2-methylanthracene?
The IUPAC name of butane;2-methylanthracene (CID 90696557) is butane;2-methylanthracene.
What is the SMILES notation for butane;2-methylanthracene?
The canonical SMILES for butane;2-methylanthracene is CCCC.Cc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of butane;2-methylanthracene?
The InChIKey is LGVKZMVYVLCTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C4H10/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-3-4-2/h2-10H,1H3;3-4H2,1-2H3.
What are the key properties of butane;2-methylanthracene?
butane;2-methylanthracene has a molecular weight of 250.38 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methylanthracene is sourced from PubChem (CID 90696557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).