5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol

C15H22O3 — CID 11715775

IUPAC5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
SMILESCCc1cc2c(c(CC)c1O)C(O)CC(C)(C)O2
InChIInChI=1S/C15H22O3/c1-5-9-7-12-13(10(6-2)14(9)17)11(16)8-15(3,4)18-12/h7,11,16-17H,5-6,8H2,1-4H3
InChIKeyAXZQFLKXPGVDHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.11
Rot. Bonds2

About 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol

5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol (PubChem CID 11715775) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol.

Molecular Properties

Compound Name5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
PubChem CID11715775
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
SMILESCCc1cc2c(c(CC)c1O)C(O)CC(C)(C)O2
InChIInChI=1S/C15H22O3/c1-5-9-7-12-13(10(6-2)14(9)17)11(16)8-15(3,4)18-12/h7,11,16-17H,5-6,8H2,1-4H3
InChIKeyAXZQFLKXPGVDHF-UHFFFAOYSA-N
XLogP3.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
The IUPAC name of 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol (CID 11715775) is 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol.
What is the SMILES notation for 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
The canonical SMILES for 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol is CCc1cc2c(c(CC)c1O)C(O)CC(C)(C)O2.
What is the InChIKey of 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
The InChIKey is AXZQFLKXPGVDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-9-7-12-13(10(6-2)14(9)17)11(16)8-15(3,4)18-12/h7,11,16-17H,5-6,8H2,1-4H3.
What are the key properties of 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol?
5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol has a molecular weight of 250.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol is sourced from PubChem (CID 11715775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).