3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol

C21H23NO3 — CID 515985

IUPAC3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol
SMILESCc1cc(CCCOc2c(C)cc(-c3cccc(O)c3)cc2C)on1
InChIInChI=1S/C21H23NO3/c1-14-10-18(17-6-4-7-19(23)13-17)11-15(2)21(14)24-9-5-8-20-12-16(3)22-25-20/h4,6-7,10-13,23H,5,8-9H2,1-3H3
InChIKeyHVIMWZNEGJAAKF-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.98
Rot. Bonds6

About 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol

3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol (PubChem CID 515985) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol
PubChem CID515985
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol
SMILESCc1cc(CCCOc2c(C)cc(-c3cccc(O)c3)cc2C)on1
InChIInChI=1S/C21H23NO3/c1-14-10-18(17-6-4-7-19(23)13-17)11-15(2)21(14)24-9-5-8-20-12-16(3)22-25-20/h4,6-7,10-13,23H,5,8-9H2,1-3H3
InChIKeyHVIMWZNEGJAAKF-UHFFFAOYSA-N
XLogP4.98
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol?
The IUPAC name of 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol (CID 515985) is 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol.
What is the SMILES notation for 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol?
The canonical SMILES for 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol is Cc1cc(CCCOc2c(C)cc(-c3cccc(O)c3)cc2C)on1.
What is the InChIKey of 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol?
The InChIKey is HVIMWZNEGJAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14-10-18(17-6-4-7-19(23)13-17)11-15(2)21(14)24-9-5-8-20-12-16(3)22-25-20/h4,6-7,10-13,23H,5,8-9H2,1-3H3.
What are the key properties of 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol?
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol has a molecular weight of 337.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenol is sourced from PubChem (CID 515985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).