4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol

C20H24O4 — CID 21466615

IUPAC4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
SMILESCCC1(C)CC(CC)(c2ccc(O)cc2O)Oc2cc(O)ccc21
InChIInChI=1S/C20H24O4/c1-4-19(3)12-20(5-2,15-8-6-13(21)10-17(15)23)24-18-11-14(22)7-9-16(18)19/h6-11,21-23H,4-5,12H2,1-3H3
InChIKeyDGOKBMAADFCMRY-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.56
Rot. Bonds3

About 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol

4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol (PubChem CID 21466615) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
PubChem CID21466615
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
SMILESCCC1(C)CC(CC)(c2ccc(O)cc2O)Oc2cc(O)ccc21
InChIInChI=1S/C20H24O4/c1-4-19(3)12-20(5-2,15-8-6-13(21)10-17(15)23)24-18-11-14(22)7-9-16(18)19/h6-11,21-23H,4-5,12H2,1-3H3
InChIKeyDGOKBMAADFCMRY-UHFFFAOYSA-N
XLogP4.56
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol (CID 21466615) is 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol is CCC1(C)CC(CC)(c2ccc(O)cc2O)Oc2cc(O)ccc21.
What is the InChIKey of 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol?
The InChIKey is DGOKBMAADFCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-4-19(3)12-20(5-2,15-8-6-13(21)10-17(15)23)24-18-11-14(22)7-9-16(18)19/h6-11,21-23H,4-5,12H2,1-3H3.
What are the key properties of 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol?
4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol has a molecular weight of 328.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol is sourced from PubChem (CID 21466615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).