2,2,7-trimethylchromene

C12H14O — CID 12934382

IUPAC2,2,7-trimethylchromene
SMILESCc1ccc2c(c1)OC(C)(C)C=C2
InChIInChI=1S/C12H14O/c1-9-4-5-10-6-7-12(2,3)13-11(10)8-9/h4-8H,1-3H3
InChIKeyOGCLQZDEGNHHJM-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.18
Rot. Bonds

About 2,2,7-trimethylchromene

2,2,7-trimethylchromene (PubChem CID 12934382) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,2,7-trimethylchromene.

Molecular Properties

Compound Name2,2,7-trimethylchromene
PubChem CID12934382
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2,2,7-trimethylchromene
SMILESCc1ccc2c(c1)OC(C)(C)C=C2
InChIInChI=1S/C12H14O/c1-9-4-5-10-6-7-12(2,3)13-11(10)8-9/h4-8H,1-3H3
InChIKeyOGCLQZDEGNHHJM-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,7-trimethylchromene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethylchromene?
The IUPAC name of 2,2,7-trimethylchromene (CID 12934382) is 2,2,7-trimethylchromene.
What is the SMILES notation for 2,2,7-trimethylchromene?
The canonical SMILES for 2,2,7-trimethylchromene is Cc1ccc2c(c1)OC(C)(C)C=C2.
What is the InChIKey of 2,2,7-trimethylchromene?
The InChIKey is OGCLQZDEGNHHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-4-5-10-6-7-12(2,3)13-11(10)8-9/h4-8H,1-3H3.
What are the key properties of 2,2,7-trimethylchromene?
2,2,7-trimethylchromene has a molecular weight of 174.24 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethylchromene is sourced from PubChem (CID 12934382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).