2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol

C19H15NO2 — CID 143430722

IUPAC2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2cc(C3=CC=CCC3)ccc2o1
InChIInChI=1S/C19H15NO2/c21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h1-2,4-6,8-12,21H,3,7H2
InChIKeyPQDFGXNUDRFMCV-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.93
Rot. Bonds2

About 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol

2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol (PubChem CID 143430722) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol
PubChem CID143430722
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2cc(C3=CC=CCC3)ccc2o1
InChIInChI=1S/C19H15NO2/c21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h1-2,4-6,8-12,21H,3,7H2
InChIKeyPQDFGXNUDRFMCV-UHFFFAOYSA-N
XLogP4.93
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
CID 137169500
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
1-[10-(3-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174290733
2-(4H-1,3-benzoxazol-4-id-2-yl)phenol;zinc
CID 152729544
6-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163460891
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol (CID 143430722) is 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol is Oc1ccccc1-c1nc2cc(C3=CC=CCC3)ccc2o1.
What is the InChIKey of 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is PQDFGXNUDRFMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13/h1-2,4-6,8-12,21H,3,7H2.
What are the key properties of 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol?
2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 289.33 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexa-1,3-dien-1-yl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 143430722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).