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

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Related Compounds

2,2-dimethylbenzo[g]chromene
CID 1218933
2,2-dimethylchromen-7-amine;2,2-dimethyl-7-nitrochromene;propane
CID 142867747
2,2-dimethylpyrano[3,2-c]pyridine
CID 14117126
2-(2,2,7-trimethylchromen-6-yl)propan-1-amine
CID 117096976
bis(2,2-dimethylchromene);ethane;tetraiodovanadium;triiodovanadium
CID 160781891
2,2-dimethyl-6-methylsulfonylchromene
CID 14210386
2-(2,2-dimethylchromen-7-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 75049000
2,2,4,6-tetramethylchromene
CID 22447422
4,4,5,5-tetramethyl-2-(2,2,7-trimethylchromen-4-yl)-1,3,2-dioxaborolane
CID 154407123
(1R,2S)-1-(2,2-dimethylchromen-6-yl)propane-1,2-diol
CID 146682719
N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide
CID 146032606
7-methoxy-2,2-dimethyl-6-propan-2-yloxychromene
CID 15390937

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).