1-methyl-6-propan-2-ylpyrene

C20H18 — CID 144975111

IUPAC1-methyl-6-propan-2-ylpyrene
SMILESCc1ccc2ccc3c(C(C)C)ccc4ccc1c2c43
InChIInChI=1S/C20H18/c1-12(2)16-9-6-15-7-10-17-13(3)4-5-14-8-11-18(16)20(15)19(14)17/h4-12H,1-3H3
InChIKeyCEKHHCPOFGNQIA-UHFFFAOYSA-N
MW258.36 g/mol
LogP6.02
Rot. Bonds1

About 1-methyl-6-propan-2-ylpyrene

1-methyl-6-propan-2-ylpyrene (PubChem CID 144975111) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylpyrene.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylpyrene
PubChem CID144975111
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-methyl-6-propan-2-ylpyrene
SMILESCc1ccc2ccc3c(C(C)C)ccc4ccc1c2c43
InChIInChI=1S/C20H18/c1-12(2)16-9-6-15-7-10-17-13(3)4-5-14-8-11-18(16)20(15)19(14)17/h4-12H,1-3H3
InChIKeyCEKHHCPOFGNQIA-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methyl-6-propan-2-ylpyrene 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

1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
1-propan-2-ylcoronene
CID 140649327
6-methylpyren-1-ol
CID 59779494
ethane;1-methyl-4-propan-2-ylanthracene
CID 144783014
1,4,5,8-tetramethylphenanthrene
CID 14619660
(6-methylpyren-1-yl)methanol
CID 91603096
1,8-dimethyl-2-propan-2-ylnaphthalene
CID 174870278
1-bromo-2,8-dimethylpyrene
CID 175605672
ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
CID 142353001
bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
CID 160772436
9,12-dimethylbenzo[c]phenanthren-3-ol
CID 15488090
1-[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]pyrene
CID 102523746

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-ylpyrene?
The IUPAC name of 1-methyl-6-propan-2-ylpyrene (CID 144975111) is 1-methyl-6-propan-2-ylpyrene.
What is the SMILES notation for 1-methyl-6-propan-2-ylpyrene?
The canonical SMILES for 1-methyl-6-propan-2-ylpyrene is Cc1ccc2ccc3c(C(C)C)ccc4ccc1c2c43.
What is the InChIKey of 1-methyl-6-propan-2-ylpyrene?
The InChIKey is CEKHHCPOFGNQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-12(2)16-9-6-15-7-10-17-13(3)4-5-14-8-11-18(16)20(15)19(14)17/h4-12H,1-3H3.
What are the key properties of 1-methyl-6-propan-2-ylpyrene?
1-methyl-6-propan-2-ylpyrene has a molecular weight of 258.36 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylpyrene is sourced from PubChem (CID 144975111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).