6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol

C20H20O4 — CID 131879123

IUPAC6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
SMILESCC1(C)CCc2cc(C3=Cc4ccc(O)cc4OC3)c(O)cc2O1
InChIInChI=1S/C20H20O4/c1-20(2)6-5-13-8-16(17(22)10-19(13)24-20)14-7-12-3-4-15(21)9-18(12)23-11-14/h3-4,7-10,21-22H,5-6,11H2,1-2H3
InChIKeyXDGVRZSGYPOYBS-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.13
Rot. Bonds1

About 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol

6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol (PubChem CID 131879123) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
PubChem CID131879123
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
SMILESCC1(C)CCc2cc(C3=Cc4ccc(O)cc4OC3)c(O)cc2O1
InChIInChI=1S/C20H20O4/c1-20(2)6-5-13-8-16(17(22)10-19(13)24-20)14-7-12-3-4-15(21)9-18(12)23-11-14/h3-4,7-10,21-22H,5-6,11H2,1-2H3
InChIKeyXDGVRZSGYPOYBS-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(5,8,8-trimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
CID 139568698
4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol
CID 139568692
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
CID 10683586
6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
CID 20818420
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
3-(3-hydroxy-4,5-dimethoxyphenyl)-2H-chromen-7-ol
CID 102080181
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 11616795
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
CID 84685961
1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one
CID 74830747
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2,2,7-trimethyl-3,4-dihydrochromene-6-carboxylic acid
CID 117097203
7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 171787942

Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The IUPAC name of 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol (CID 131879123) is 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The canonical SMILES for 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol is CC1(C)CCc2cc(C3=Cc4ccc(O)cc4OC3)c(O)cc2O1.
What is the InChIKey of 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
The InChIKey is XDGVRZSGYPOYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)6-5-13-8-16(17(22)10-19(13)24-20)14-7-12-3-4-15(21)9-18(12)23-11-14/h3-4,7-10,21-22H,5-6,11H2,1-2H3.
What are the key properties of 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol?
6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol has a molecular weight of 324.38 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 131879123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).