4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol

C20H20O4 — CID 76764233

IUPAC4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
SMILESCC1(C)C=Cc2cc3c(cc2O1)OC[C@H](c1ccc(O)cc1O)C3
InChIInChI=1S/C20H20O4/c1-20(2)6-5-12-7-13-8-14(11-23-18(13)10-19(12)24-20)16-4-3-15(21)9-17(16)22/h3-7,9-10,14,21-22H,8,11H2,1-2H3/t14-/m1/s1
InChIKeyIEPMGTIKOJDULE-CQSZACIVSA-N
MW324.38 g/mol
LogP4.00
Rot. Bonds1

About 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol

4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol (PubChem CID 76764233) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
PubChem CID76764233
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
SMILESCC1(C)C=Cc2cc3c(cc2O1)OC[C@H](c1ccc(O)cc1O)C3
InChIInChI=1S/C20H20O4/c1-20(2)6-5-12-7-13-8-14(11-23-18(13)10-19(12)24-20)16-4-3-15(21)9-17(16)22/h3-7,9-10,14,21-22H,8,11H2,1-2H3/t14-/m1/s1
InChIKeyIEPMGTIKOJDULE-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol?
The IUPAC name of 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol (CID 76764233) is 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol?
The canonical SMILES for 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol is CC1(C)C=Cc2cc3c(cc2O1)OC[C@H](c1ccc(O)cc1O)C3.
What is the InChIKey of 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol?
The InChIKey is IEPMGTIKOJDULE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)6-5-12-7-13-8-14(11-23-18(13)10-19(12)24-20)16-4-3-15(21)9-17(16)22/h3-7,9-10,14,21-22H,8,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol?
4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol 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 4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol is sourced from PubChem (CID 76764233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).