(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate

C23H28O6 — CID 142600396

IUPAC(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
SMILESCOC1CC(O)CC(COC(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)O1
InChIInChI=1S/C23H28O6/c1-15-9-18(10-16(2)22(15)27-13-17-7-5-4-6-8-17)23(25)28-14-20-11-19(24)12-21(26-3)29-20/h4-10,19-21,24H,11-14H2,1-3H3
InChIKeyOMGYOBFNSYXFOG-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.55
Rot. Bonds7

About (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate

(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate (PubChem CID 142600396) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
PubChem CID142600396
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
SMILESCOC1CC(O)CC(COC(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)O1
InChIInChI=1S/C23H28O6/c1-15-9-18(10-16(2)22(15)27-13-17-7-5-4-6-8-17)23(25)28-14-20-11-19(24)12-21(26-3)29-20/h4-10,19-21,24H,11-14H2,1-3H3
InChIKeyOMGYOBFNSYXFOG-UHFFFAOYSA-N
XLogP3.55
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate?
The IUPAC name of (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate (CID 142600396) is (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate.
What is the SMILES notation for (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate?
The canonical SMILES for (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate is COC1CC(O)CC(COC(=O)c2cc(C)c(OCc3ccccc3)c(C)c2)O1.
What is the InChIKey of (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate?
The InChIKey is OMGYOBFNSYXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O6/c1-15-9-18(10-16(2)22(15)27-13-17-7-5-4-6-8-17)23(25)28-14-20-11-19(24)12-21(26-3)29-20/h4-10,19-21,24H,11-14H2,1-3H3.
What are the key properties of (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate?
(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate has a molecular weight of 400.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate is sourced from PubChem (CID 142600396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).