1-butyl-5-methyl-9H-fluorene

C18H20 — CID 173246680

IUPAC1-butyl-5-methyl-9H-fluorene
SMILESCCCCc1cccc2c1Cc1cccc(C)c1-2
InChIInChI=1S/C18H20/c1-3-4-8-14-9-6-11-16-17(14)12-15-10-5-7-13(2)18(15)16/h5-7,9-11H,3-4,8,12H2,1-2H3
InChIKeyZUHZIXYTLHYFBU-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.91
Rot. Bonds3

About 1-butyl-5-methyl-9H-fluorene

1-butyl-5-methyl-9H-fluorene (PubChem CID 173246680) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-butyl-5-methyl-9H-fluorene.

Molecular Properties

Compound Name1-butyl-5-methyl-9H-fluorene
PubChem CID173246680
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-butyl-5-methyl-9H-fluorene
SMILESCCCCc1cccc2c1Cc1cccc(C)c1-2
InChIInChI=1S/C18H20/c1-3-4-8-14-9-6-11-16-17(14)12-15-10-5-7-13(2)18(15)16/h5-7,9-11H,3-4,8,12H2,1-2H3
InChIKeyZUHZIXYTLHYFBU-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2,3-dibutyl-9H-fluoren-1-amine
CID 151540812
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623
1,2,3-tributyl-9H-fluorene
CID 90984374
benzene;formamide;4-octyl-9H-fluorene
CID 175052278
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
4-dodecyl-1,8-dihydroxy-10H-anthracen-9-one
CID 20542347
25,26,27,28-tetrabutylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 102468300
2-butyl-1-phenyl-9H-fluorene
CID 154085968
2-(2-methyl-6-pentylphenyl)benzonitrile
CID 101053248

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-9H-fluorene?
The IUPAC name of 1-butyl-5-methyl-9H-fluorene (CID 173246680) is 1-butyl-5-methyl-9H-fluorene.
What is the SMILES notation for 1-butyl-5-methyl-9H-fluorene?
The canonical SMILES for 1-butyl-5-methyl-9H-fluorene is CCCCc1cccc2c1Cc1cccc(C)c1-2.
What is the InChIKey of 1-butyl-5-methyl-9H-fluorene?
The InChIKey is ZUHZIXYTLHYFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-4-8-14-9-6-11-16-17(14)12-15-10-5-7-13(2)18(15)16/h5-7,9-11H,3-4,8,12H2,1-2H3.
What are the key properties of 1-butyl-5-methyl-9H-fluorene?
1-butyl-5-methyl-9H-fluorene has a molecular weight of 236.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-9H-fluorene is sourced from PubChem (CID 173246680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).