3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol

C15H17NO2 — CID 91735961

IUPAC3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol
SMILESCc1onc2c1C(c1ccccc1)CC(C)(O)C2
InChIInChI=1S/C15H17NO2/c1-10-14-12(11-6-4-3-5-7-11)8-15(2,17)9-13(14)16-18-10/h3-7,12,17H,8-9H2,1-2H3
InChIKeyNMTINXAGALWJQW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.81
Rot. Bonds1

About 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol

3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol (PubChem CID 91735961) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol.

Molecular Properties

Compound Name3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol
PubChem CID91735961
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol
SMILESCc1onc2c1C(c1ccccc1)CC(C)(O)C2
InChIInChI=1S/C15H17NO2/c1-10-14-12(11-6-4-3-5-7-11)8-15(2,17)9-13(14)16-18-10/h3-7,12,17H,8-9H2,1-2H3
InChIKeyNMTINXAGALWJQW-UHFFFAOYSA-N
XLogP2.81
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol?
The IUPAC name of 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol (CID 91735961) is 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol.
What is the SMILES notation for 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol?
The canonical SMILES for 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol is Cc1onc2c1C(c1ccccc1)CC(C)(O)C2.
What is the InChIKey of 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol?
The InChIKey is NMTINXAGALWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-14-12(11-6-4-3-5-7-11)8-15(2,17)9-13(14)16-18-10/h3-7,12,17H,8-9H2,1-2H3.
What are the key properties of 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol?
3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol has a molecular weight of 243.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-6-ol is sourced from PubChem (CID 91735961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).