methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate

C22H26O4 — CID 10570125

IUPACmethyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
SMILESCOC(=O)C1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1
InChIInChI=1S/C22H26O4/c1-14-15(2)20-18(11-12-22(4,26-20)21(23)24-5)16(3)19(14)25-13-17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3
InChIKeyHFBIGPUGBNBTJC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.45
Rot. Bonds4

About methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate

methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate (PubChem CID 10570125) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
PubChem CID10570125
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Namemethyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
SMILESCOC(=O)C1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1
InChIInChI=1S/C22H26O4/c1-14-15(2)20-18(11-12-22(4,26-20)21(23)24-5)16(3)19(14)25-13-17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3
InChIKeyHFBIGPUGBNBTJC-UHFFFAOYSA-N
XLogP4.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate (CID 10570125) is methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate is COC(=O)C1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1.
What is the InChIKey of methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate?
The InChIKey is HFBIGPUGBNBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-14-15(2)20-18(11-12-22(4,26-20)21(23)24-5)16(3)19(14)25-13-17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3.
What are the key properties of methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate?
methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 10570125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).