3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol

C19H22O4 — CID 175752811

IUPAC3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol
SMILESCc1c(C)c2c(c(C)c1O)OC(c1ccccc1)C(C)(O)C2O
InChIInChI=1S/C19H22O4/c1-10-11(2)15(20)12(3)16-14(10)17(21)19(4,22)18(23-16)13-8-6-5-7-9-13/h5-9,17-18,20-22H,1-4H3
InChIKeyKZJYCMPDHPKJTO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.24
Rot. Bonds1

About 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol

3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol (PubChem CID 175752811) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol.

Molecular Properties

Compound Name3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol
PubChem CID175752811
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol
SMILESCc1c(C)c2c(c(C)c1O)OC(c1ccccc1)C(C)(O)C2O
InChIInChI=1S/C19H22O4/c1-10-11(2)15(20)12(3)16-14(10)17(21)19(4,22)18(23-16)13-8-6-5-7-9-13/h5-9,17-18,20-22H,1-4H3
InChIKeyKZJYCMPDHPKJTO-UHFFFAOYSA-N
XLogP3.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol?
The IUPAC name of 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol (CID 175752811) is 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol.
What is the SMILES notation for 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol?
The canonical SMILES for 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol is Cc1c(C)c2c(c(C)c1O)OC(c1ccccc1)C(C)(O)C2O.
What is the InChIKey of 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol?
The InChIKey is KZJYCMPDHPKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-10-11(2)15(20)12(3)16-14(10)17(21)19(4,22)18(23-16)13-8-6-5-7-9-13/h5-9,17-18,20-22H,1-4H3.
What are the key properties of 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol?
3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol has a molecular weight of 314.38 g/mol, XLogP of 3.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol is sourced from PubChem (CID 175752811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).