6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol

C17H18O3 — CID 10445833

IUPAC6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol
SMILESCCC1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21
InChIInChI=1S/C17H18O3/c1-4-15-16-9(2)13(18)7-5-11(16)12-6-8-14(19)10(3)17(12)20-15/h5-8,15,18-19H,4H2,1-3H3
InChIKeyIAFZPZLQCDKQGG-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.23
Rot. Bonds1

About 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol

6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol (PubChem CID 10445833) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol.

Molecular Properties

Compound Name6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol
PubChem CID10445833
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol
SMILESCCC1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21
InChIInChI=1S/C17H18O3/c1-4-15-16-9(2)13(18)7-5-11(16)12-6-8-14(19)10(3)17(12)20-15/h5-8,15,18-19H,4H2,1-3H3
InChIKeyIAFZPZLQCDKQGG-UHFFFAOYSA-N
XLogP4.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol?
The IUPAC name of 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol (CID 10445833) is 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol.
What is the SMILES notation for 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol?
The canonical SMILES for 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol is CCC1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21.
What is the InChIKey of 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol?
The InChIKey is IAFZPZLQCDKQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-15-16-9(2)13(18)7-5-11(16)12-6-8-14(19)10(3)17(12)20-15/h5-8,15,18-19H,4H2,1-3H3.
What are the key properties of 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol?
6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol has a molecular weight of 270.33 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol is sourced from PubChem (CID 10445833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).