butan-1-ol;2-methylanthracene

C19H22O — CID 157365265

IUPACbutan-1-ol;2-methylanthracene
SMILESCCCCO.Cc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H12.C4H10O/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-2-3-4-5/h2-10H,1H3;5H,2-4H2,1H3
InChIKeyBJCIMQFZTUJDFR-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.08
Rot. Bonds2

About butan-1-ol;2-methylanthracene

butan-1-ol;2-methylanthracene (PubChem CID 157365265) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is butan-1-ol;2-methylanthracene.

Molecular Properties

Compound Namebutan-1-ol;2-methylanthracene
PubChem CID157365265
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Namebutan-1-ol;2-methylanthracene
SMILESCCCCO.Cc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H12.C4H10O/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-2-3-4-5/h2-10H,1H3;5H,2-4H2,1H3
InChIKeyBJCIMQFZTUJDFR-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;2-methylanthracene
CID 90696557
anthracene;hexan-1-ol
CID 174457209
2,6-dimethylnaphthalene;propane
CID 142191183
benzene;butan-1-ol;toluene
CID 163426889
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
naphthalene;octan-1-ol
CID 90016891
lithium;hydride;2-methylnaphthalene
CID 175090071
anthracene;ethanol;titanium
CID 160763576

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-methylanthracene?
The IUPAC name of butan-1-ol;2-methylanthracene (CID 157365265) is butan-1-ol;2-methylanthracene.
What is the SMILES notation for butan-1-ol;2-methylanthracene?
The canonical SMILES for butan-1-ol;2-methylanthracene is CCCCO.Cc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of butan-1-ol;2-methylanthracene?
The InChIKey is BJCIMQFZTUJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C4H10O/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-2-3-4-5/h2-10H,1H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;2-methylanthracene?
butan-1-ol;2-methylanthracene has a molecular weight of 266.38 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-methylanthracene is sourced from PubChem (CID 157365265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).