methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate

C21H24O6 — CID 175762346

IUPACmethyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate
SMILESCOC(=O)C1(c2cc(C)ccc2OC)CC(O)(c2ccccc2OC)CO1
InChIInChI=1S/C21H24O6/c1-14-9-10-18(25-3)16(11-14)21(19(22)26-4)12-20(23,13-27-21)15-7-5-6-8-17(15)24-2/h5-11,23H,12-13H2,1-4H3
InChIKeyGUSHANAQDQKANJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.69
Rot. Bonds5

About methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate

methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate (PubChem CID 175762346) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate
PubChem CID175762346
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Namemethyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate
SMILESCOC(=O)C1(c2cc(C)ccc2OC)CC(O)(c2ccccc2OC)CO1
InChIInChI=1S/C21H24O6/c1-14-9-10-18(25-3)16(11-14)21(19(22)26-4)12-20(23,13-27-21)15-7-5-6-8-17(15)24-2/h5-11,23H,12-13H2,1-4H3
InChIKeyGUSHANAQDQKANJ-UHFFFAOYSA-N
XLogP2.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-methoxy-5-methylphenyl)-5-oxaspiro[2.4]heptane-6-carboxylate
CID 164571562
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
methyl 2-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 86045599
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
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3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
CID 90134971
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058
3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089821
[4-methyl-2-(2-methyloxiran-2-yl)phenyl] acetate
CID 12543275
3-(2-methoxyphenyl)-5,5-dimethylthian-3-ol
CID 79946466
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate (CID 175762346) is methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate is COC(=O)C1(c2cc(C)ccc2OC)CC(O)(c2ccccc2OC)CO1.
What is the InChIKey of methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate?
The InChIKey is GUSHANAQDQKANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-14-9-10-18(25-3)16(11-14)21(19(22)26-4)12-20(23,13-27-21)15-7-5-6-8-17(15)24-2/h5-11,23H,12-13H2,1-4H3.
What are the key properties of methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate?
methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate is sourced from PubChem (CID 175762346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).