4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane

C24H32O4 — CID 155725213

IUPAC4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
SMILESCC.CC.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2O)C3)O1
InChIInChI=1S/C20H20O4.2C2H6/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22;2*1-2/h3-8,10,13,21-22H,9,11H2,1-2H3;2*1-2H3
InChIKeyMQVPCHAXLZVVJC-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.05
Rot. Bonds1

About 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane

4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane (PubChem CID 155725213) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane.

Molecular Properties

Compound Name4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
PubChem CID155725213
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
SMILESCC.CC.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2O)C3)O1
InChIInChI=1S/C20H20O4.2C2H6/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22;2*1-2/h3-8,10,13,21-22H,9,11H2,1-2H3;2*1-2H3
InChIKeyMQVPCHAXLZVVJC-UHFFFAOYSA-N
XLogP6.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane with MolForge

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Related Compounds

8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
CID 162946117
4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
CID 76764233
3-(6-hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-6-ol
CID 596540
N'-[4-[3-[4-[bis[3-(dimethylamino)propyl]amino]butoxy]-4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)phenoxy]butyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 164940284
3-(4-butoxy-2-phenylmethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromene
CID 137440399
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
CID 139809687
4-[(3S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
CID 51136421
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11542390
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
CID 91820692
3-methoxy-6-[(3R,8R)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
CID 162912952
5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
CID 148992994
4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
CID 139568713

Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane?
The IUPAC name of 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane (CID 155725213) is 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane.
What is the SMILES notation for 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane?
The canonical SMILES for 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane is CC.CC.CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2O)C3)O1.
What is the InChIKey of 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane?
The InChIKey is MQVPCHAXLZVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4.2C2H6/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22;2*1-2/h3-8,10,13,21-22H,9,11H2,1-2H3;2*1-2H3.
What are the key properties of 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane?
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane has a molecular weight of 384.52 g/mol, XLogP of 6.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane is sourced from PubChem (CID 155725213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).