3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol

C32H38O4 — CID 627589

IUPAC3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol
SMILESCOc1c2c(c(CCC(O)(c3ccccc3)c3ccccc3)c3c1CCC(C)(C)O3)OC(C)(C)CC2
InChIInChI=1S/C32H38O4/c1-30(2)19-16-24-27(34-5)25-17-20-31(3,4)36-29(25)26(28(24)35-30)18-21-32(33,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,33H,16-21H2,1-5H3
InChIKeyNSRJIRXCIWLYNO-UHFFFAOYSA-N
MW486.65 g/mol
LogP6.77
Rot. Bonds6

About 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol

3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol (PubChem CID 627589) has the molecular formula C32H38O4 and a molecular weight of 486.65 g/mol. Its IUPAC name is 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol
PubChem CID627589
Molecular FormulaC32H38O4
Molecular Weight486.65 g/mol
Exact Mass486.28
IUPAC Name3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol
SMILESCOc1c2c(c(CCC(O)(c3ccccc3)c3ccccc3)c3c1CCC(C)(C)O3)OC(C)(C)CC2
InChIInChI=1S/C32H38O4/c1-30(2)19-16-24-27(34-5)25-17-20-31(3,4)36-29(25)26(28(24)35-30)18-21-32(33,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,33H,16-21H2,1-5H3
InChIKeyNSRJIRXCIWLYNO-UHFFFAOYSA-N
XLogP6.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol (CID 627589) is 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol is COc1c2c(c(CCC(O)(c3ccccc3)c3ccccc3)c3c1CCC(C)(C)O3)OC(C)(C)CC2.
What is the InChIKey of 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol?
The InChIKey is NSRJIRXCIWLYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O4/c1-30(2)19-16-24-27(34-5)25-17-20-31(3,4)36-29(25)26(28(24)35-30)18-21-32(33,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,33H,16-21H2,1-5H3.
What are the key properties of 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol?
3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol has a molecular weight of 486.65 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 627589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).