8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol

C20H20O4 — CID 162946117

IUPAC8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
SMILESCC1(C)C=Cc2c(O)ccc([C@H]3COc4cc(O)ccc4C3)c2O1
InChIInChI=1S/C20H20O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyFWNBCUTXAPZFIT-CYBMUJFWSA-N
MW324.38 g/mol
LogP4.00
Rot. Bonds1

About 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol

8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol (PubChem CID 162946117) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol.

Molecular Properties

Compound Name8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
PubChem CID162946117
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
SMILESCC1(C)C=Cc2c(O)ccc([C@H]3COc4cc(O)ccc4C3)c2O1
InChIInChI=1S/C20H20O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyFWNBCUTXAPZFIT-CYBMUJFWSA-N
XLogP4.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213
4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
CID 76764233
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
CID 177248657
4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 162915335
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
CID 139809687
(1R,13R)-7,7-dimethyl-8,20-dioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2,4(9),5,10,14(19),15,17-heptaene-1,17-diol
CID 162829878
5-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8,8-trimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 162849319
(3S)-5-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8,8-trimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 162849320
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 42604621
(1S,9R,13S,21R)-17-[(2R)-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]-1-[(5-hydroxy-2,2-dimethylchromen-8-yl)methyl]-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
CID 163069262

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol?
The IUPAC name of 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol (CID 162946117) is 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol.
What is the SMILES notation for 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol?
The canonical SMILES for 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol is CC1(C)C=Cc2c(O)ccc([C@H]3COc4cc(O)ccc4C3)c2O1.
What is the InChIKey of 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol?
The InChIKey is FWNBCUTXAPZFIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol?
8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol has a molecular weight of 324.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol is sourced from PubChem (CID 162946117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).