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

C22H25NO3 — CID 515987

IUPAC[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol
SMILESCc1cc(CCCOc2c(C)cc(-c3cccc(CO)c3)cc2C)on1
InChIInChI=1S/C22H25NO3/c1-15-10-20(19-7-4-6-18(13-19)14-24)11-16(2)22(15)25-9-5-8-21-12-17(3)23-26-21/h4,6-7,10-13,24H,5,8-9,14H2,1-3H3
InChIKeyDCAVLOPNTQJERQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.77
Rot. Bonds7

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

[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol (PubChem CID 515987) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol
PubChem CID515987
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol
SMILESCc1cc(CCCOc2c(C)cc(-c3cccc(CO)c3)cc2C)on1
InChIInChI=1S/C22H25NO3/c1-15-10-20(19-7-4-6-18(13-19)14-24)11-16(2)22(15)25-9-5-8-21-12-17(3)23-26-21/h4,6-7,10-13,24H,5,8-9,14H2,1-3H3
InChIKeyDCAVLOPNTQJERQ-UHFFFAOYSA-N
XLogP4.77
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.77
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]phenyl]methanol?
The IUPAC name of [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol (CID 515987) is [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol.
What is the SMILES notation for [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol?
The canonical SMILES for [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol is Cc1cc(CCCOc2c(C)cc(-c3cccc(CO)c3)cc2C)on1.
What is the InChIKey of [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol?
The InChIKey is DCAVLOPNTQJERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-10-20(19-7-4-6-18(13-19)14-24)11-16(2)22(15)25-9-5-8-21-12-17(3)23-26-21/h4,6-7,10-13,24H,5,8-9,14H2,1-3H3.
What are the key properties of [3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol?
[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]phenyl]methanol has a molecular weight of 351.45 g/mol, XLogP of 4.77, 7 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]phenyl]methanol is sourced from PubChem (CID 515987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).