2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol

C16H20O2 — CID 24763332

IUPAC2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol
SMILESC=CC(C)(C)c1cc2c(cc1O)C=CC(C)(C)O2
InChIInChI=1S/C16H20O2/c1-6-15(2,3)12-10-14-11(9-13(12)17)7-8-16(4,5)18-14/h6-10,17H,1H2,2-5H3
InChIKeyNGIOBTJUOUOZNP-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.04
Rot. Bonds2

About 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol

2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol (PubChem CID 24763332) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol.

Molecular Properties

Compound Name2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol
PubChem CID24763332
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol
SMILESC=CC(C)(C)c1cc2c(cc1O)C=CC(C)(C)O2
InChIInChI=1S/C16H20O2/c1-6-15(2,3)12-10-14-11(9-13(12)17)7-8-16(4,5)18-14/h6-10,17H,1H2,2-5H3
InChIKeyNGIOBTJUOUOZNP-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol?
The IUPAC name of 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol (CID 24763332) is 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol.
What is the SMILES notation for 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol?
The canonical SMILES for 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol is C=CC(C)(C)c1cc2c(cc1O)C=CC(C)(C)O2.
What is the InChIKey of 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol?
The InChIKey is NGIOBTJUOUOZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-6-15(2,3)12-10-14-11(9-13(12)17)7-8-16(4,5)18-14/h6-10,17H,1H2,2-5H3.
What are the key properties of 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol?
2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol has a molecular weight of 244.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)chromen-6-ol is sourced from PubChem (CID 24763332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).