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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Related Compounds

4,4'-diethyl-3',4,4'-trimethyl-2,2'-spirobi[3H-chromene]-7,7'-diol
CID 20626768
4-(7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
CID 162010802
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
CID 10683586
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
CID 123357468
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
CID 159253839
ethane;propane;1,1,3,3-tetramethyl-2H-inden-5-ol
CID 142016467
4-(2,4-dihydroxyphenyl)-4,6,6-trimethyl-1,3-diazinane-2-thione
CID 2837496
5-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)-2,2,4-trimethyl-3H-chromen-4-yl]phenol
CID 139612928
2,4,4-trimethylchromen-7-ol
CID 12760922
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
CID 1201962
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560

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).