[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol

C26H19NO3 — CID 58057288

IUPAC[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1
InChIInChI=1S/C26H19NO3/c28-17-18-5-13-22(14-6-18)29-23-15-11-20(12-16-23)19-7-9-21(10-8-19)26-27-24-3-1-2-4-25(24)30-26/h1-16,28H,17H2
InChIKeyZGYCJINJSQUYRF-UHFFFAOYSA-N
MW393.44 g/mol
LogP6.45
Rot. Bonds5

About [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol

[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol (PubChem CID 58057288) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
PubChem CID58057288
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1
InChIInChI=1S/C26H19NO3/c28-17-18-5-13-22(14-6-18)29-23-15-11-20(12-16-23)19-7-9-21(10-8-19)26-27-24-3-1-2-4-25(24)30-26/h1-16,28H,17H2
InChIKeyZGYCJINJSQUYRF-UHFFFAOYSA-N
XLogP6.45
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol;N,N-diphenyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;N,N-diphenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxy]aniline;methane;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxy]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;9-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxy]phenyl]carbazole;9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 157419840
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
CID 171736377
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
CID 135784125
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
[4-(1,3-benzoxazol-2-yl)phenyl]methyl 2-(3,4-dihydroxyphenyl)acetate
CID 127045111
2-pyridin-4-yl-1,3-benzoxazole
CID 16804

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol?
The IUPAC name of [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol (CID 58057288) is [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol?
The canonical SMILES for [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol is OCc1ccc(Oc2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol?
The InChIKey is ZGYCJINJSQUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-17-18-5-13-22(14-6-18)29-23-15-11-20(12-16-23)19-7-9-21(10-8-19)26-27-24-3-1-2-4-25(24)30-26/h1-16,28H,17H2.
What are the key properties of [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol?
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol has a molecular weight of 393.44 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol is sourced from PubChem (CID 58057288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).