2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine

C22H29NO3 — CID 67570451

IUPAC2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine
SMILESCOc1ccc(-c2ccccc2OC(C)C)c(C2OCC(C)(C)N2C)c1
InChIInChI=1S/C22H29NO3/c1-15(2)26-20-10-8-7-9-18(20)17-12-11-16(24-6)13-19(17)21-23(5)22(3,4)14-25-21/h7-13,15,21H,14H2,1-6H3
InChIKeyNUDMBGTVFOOCBY-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.89
Rot. Bonds5

About 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine

2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine (PubChem CID 67570451) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine
PubChem CID67570451
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine
SMILESCOc1ccc(-c2ccccc2OC(C)C)c(C2OCC(C)(C)N2C)c1
InChIInChI=1S/C22H29NO3/c1-15(2)26-20-10-8-7-9-18(20)17-12-11-16(24-6)13-19(17)21-23(5)22(3,4)14-25-21/h7-13,15,21H,14H2,1-6H3
InChIKeyNUDMBGTVFOOCBY-UHFFFAOYSA-N
XLogP4.89
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide
CID 70191549
2-[1-(2-methoxy-9H-fluoren-9-yl)ethyl]-1,3-dioxolane
CID 19978422
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2-cyclopropyl-4-methoxy-1-phenylbenzene
CID 173009156
5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
2,7,9-trimethoxy-9H-fluorene
CID 155898925
2-[2-(1-benzothiophen-7-yl)-5-methoxyphenyl]oxirane
CID 11616155
1-(2,7-dimethoxy-9H-fluoren-9-yl)pyrrolidine
CID 71339308
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydronaphtho[1,2-b]oxiren-3-one
CID 129383938

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine (CID 67570451) is 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine is COc1ccc(-c2ccccc2OC(C)C)c(C2OCC(C)(C)N2C)c1.
What is the InChIKey of 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is NUDMBGTVFOOCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)26-20-10-8-7-9-18(20)17-12-11-16(24-6)13-19(17)21-23(5)22(3,4)14-25-21/h7-13,15,21H,14H2,1-6H3.
What are the key properties of 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine?
2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 355.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(2-propan-2-yloxyphenyl)phenyl]-3,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 67570451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).