2-butyl-3-methylnaphthalene

C15H18 — CID 173304138

IUPAC2-butyl-3-methylnaphthalene
SMILESCCCCc1cc2ccccc2cc1C
InChIInChI=1S/C15H18/c1-3-4-7-13-11-15-9-6-5-8-14(15)10-12(13)2/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyNLSMXYNFSHURJQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.49
Rot. Bonds3

About 2-butyl-3-methylnaphthalene

2-butyl-3-methylnaphthalene (PubChem CID 173304138) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-butyl-3-methylnaphthalene.

Molecular Properties

Compound Name2-butyl-3-methylnaphthalene
PubChem CID173304138
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name2-butyl-3-methylnaphthalene
SMILESCCCCc1cc2ccccc2cc1C
InChIInChI=1S/C15H18/c1-3-4-7-13-11-15-9-6-5-8-14(15)10-12(13)2/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyNLSMXYNFSHURJQ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2,3-dibutylanthracene-1-thiol
CID 21406595
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane
CID 157383217
CID 159940559
CID 159940559
2,3,8,9-tetrabutyltetracene
CID 102053257
1,2,3,4-tetrabutylpentacene
CID 22061721
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylnaphthalene?
The IUPAC name of 2-butyl-3-methylnaphthalene (CID 173304138) is 2-butyl-3-methylnaphthalene.
What is the SMILES notation for 2-butyl-3-methylnaphthalene?
The canonical SMILES for 2-butyl-3-methylnaphthalene is CCCCc1cc2ccccc2cc1C.
What is the InChIKey of 2-butyl-3-methylnaphthalene?
The InChIKey is NLSMXYNFSHURJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-3-4-7-13-11-15-9-6-5-8-14(15)10-12(13)2/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-3-methylnaphthalene?
2-butyl-3-methylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylnaphthalene is sourced from PubChem (CID 173304138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).