1,4-dimethyl-6-propan-2-ylazulene

C15H18 — CID 19861187

IUPAC1,4-dimethyl-6-propan-2-ylazulene
SMILESCc1ccc2c(C)cc(C(C)C)ccc1-2
InChIInChI=1S/C15H18/c1-10(2)13-6-8-14-11(3)5-7-15(14)12(4)9-13/h5-10H,1-4H3
InChIKeyFYFFYYQOKUTVLJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.53
Rot. Bonds1

About 1,4-dimethyl-6-propan-2-ylazulene

1,4-dimethyl-6-propan-2-ylazulene (PubChem CID 19861187) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,4-dimethyl-6-propan-2-ylazulene.

Molecular Properties

Compound Name1,4-dimethyl-6-propan-2-ylazulene
PubChem CID19861187
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1,4-dimethyl-6-propan-2-ylazulene
SMILESCc1ccc2c(C)cc(C(C)C)ccc1-2
InChIInChI=1S/C15H18/c1-10(2)13-6-8-14-11(3)5-7-15(14)12(4)9-13/h5-10H,1-4H3
InChIKeyFYFFYYQOKUTVLJ-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dimethyl-6-propan-2-ylazulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-di(propan-2-yl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene
CID 159090992
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene
CID 71421135
1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene
CID 145064403
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
CID 90322355
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
4-methyl-1-phenyl-6-propan-2-ylnaphthalene
CID 157491424
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 82471385
4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116887657

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-propan-2-ylazulene?
The IUPAC name of 1,4-dimethyl-6-propan-2-ylazulene (CID 19861187) is 1,4-dimethyl-6-propan-2-ylazulene.
What is the SMILES notation for 1,4-dimethyl-6-propan-2-ylazulene?
The canonical SMILES for 1,4-dimethyl-6-propan-2-ylazulene is Cc1ccc2c(C)cc(C(C)C)ccc1-2.
What is the InChIKey of 1,4-dimethyl-6-propan-2-ylazulene?
The InChIKey is FYFFYYQOKUTVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-10(2)13-6-8-14-11(3)5-7-15(14)12(4)9-13/h5-10H,1-4H3.
What are the key properties of 1,4-dimethyl-6-propan-2-ylazulene?
1,4-dimethyl-6-propan-2-ylazulene has a molecular weight of 198.31 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-propan-2-ylazulene is sourced from PubChem (CID 19861187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).