2-ethyl-4-methylazulene

C13H14 — CID 154376639

IUPAC2-ethyl-4-methylazulene
SMILESCCc1cc2ccccc(C)c-2c1
InChIInChI=1S/C13H14/c1-3-11-8-12-7-5-4-6-10(2)13(12)9-11/h4-9H,3H2,1-2H3
InChIKeyUFBYZINNXJQMJP-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.66
Rot. Bonds1

About 2-ethyl-4-methylazulene

2-ethyl-4-methylazulene (PubChem CID 154376639) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethyl-4-methylazulene.

Molecular Properties

Compound Name2-ethyl-4-methylazulene
PubChem CID154376639
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name2-ethyl-4-methylazulene
SMILESCCc1cc2ccccc(C)c-2c1
InChIInChI=1S/C13H14/c1-3-11-8-12-7-5-4-6-10(2)13(12)9-11/h4-9H,3H2,1-2H3
InChIKeyUFBYZINNXJQMJP-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-4-methylazulene 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

4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
CID 90994184
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-[4-ethyl-2-(2-methylphenyl)phenyl]ethanone
CID 20665286
2,9-bis(5-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405085

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylazulene?
The IUPAC name of 2-ethyl-4-methylazulene (CID 154376639) is 2-ethyl-4-methylazulene.
What is the SMILES notation for 2-ethyl-4-methylazulene?
The canonical SMILES for 2-ethyl-4-methylazulene is CCc1cc2ccccc(C)c-2c1.
What is the InChIKey of 2-ethyl-4-methylazulene?
The InChIKey is UFBYZINNXJQMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-3-11-8-12-7-5-4-6-10(2)13(12)9-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methylazulene?
2-ethyl-4-methylazulene has a molecular weight of 170.25 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylazulene is sourced from PubChem (CID 154376639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).