4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol

C18H21NO3 — CID 10804094

IUPAC4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
SMILESCOc1cc([C@@H]2O[C@H](c3ccccc3)[C@H](C)N2C)ccc1O
InChIInChI=1S/C18H21NO3/c1-12-17(13-7-5-4-6-8-13)22-18(19(12)2)14-9-10-15(20)16(11-14)21-3/h4-12,17-18,20H,1-3H3/t12-,17-,18-/m0/s1
InChIKeyCVPQSQADBKMAII-IGNZVWTISA-N
MW299.37 g/mol
LogP3.49
Rot. Bonds3

About 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol

4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol (PubChem CID 10804094) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
PubChem CID10804094
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
SMILESCOc1cc([C@@H]2O[C@H](c3ccccc3)[C@H](C)N2C)ccc1O
InChIInChI=1S/C18H21NO3/c1-12-17(13-7-5-4-6-8-13)22-18(19(12)2)14-9-10-15(20)16(11-14)21-3/h4-12,17-18,20H,1-3H3/t12-,17-,18-/m0/s1
InChIKeyCVPQSQADBKMAII-IGNZVWTISA-N
XLogP3.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol with MolForge

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Related Compounds

2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic acid
CID 131832014
(2R,3S,4R,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol
CID 51723028
2,4-ditert-butyl-6-[(2R,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 102275565
(3S,4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 101033464
1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 93065220
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
(2R,3S,4R,5R)-5-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-3,4-dimethyloxolan-3-ol
CID 51694138
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 4689309

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol (CID 10804094) is 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol is COc1cc([C@@H]2O[C@H](c3ccccc3)[C@H](C)N2C)ccc1O.
What is the InChIKey of 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol?
The InChIKey is CVPQSQADBKMAII-IGNZVWTISA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-17(13-7-5-4-6-8-13)22-18(19(12)2)14-9-10-15(20)16(11-14)21-3/h4-12,17-18,20H,1-3H3/t12-,17-,18-/m0/s1.
What are the key properties of 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol?
4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol has a molecular weight of 299.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 10804094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).