2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol

C13H13NO2 — CID 91417035

IUPAC2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol
SMILESCC=CC(=CC)c1nc2ccc(O)cc2o1
InChIInChI=1S/C13H13NO2/c1-3-5-9(4-2)13-14-11-7-6-10(15)8-12(11)16-13/h3-8,15H,1-2H3
InChIKeyNAZHLMLIAKVXTQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.51
Rot. Bonds2

About 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol

2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol (PubChem CID 91417035) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol
PubChem CID91417035
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol
SMILESCC=CC(=CC)c1nc2ccc(O)cc2o1
InChIInChI=1S/C13H13NO2/c1-3-5-9(4-2)13-14-11-7-6-10(15)8-12(11)16-13/h3-8,15H,1-2H3
InChIKeyNAZHLMLIAKVXTQ-UHFFFAOYSA-N
XLogP3.51
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
CID 174634170
6-hydroxy-1,3-benzoxazole-2-carbaldehyde
CID 82415216
4-(6-hydroxy-1,3-benzoxazol-2-yl)benzene-1,3-diol
CID 135522275
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazol-6-ol
CID 19384259
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazol-6-ol
CID 69474101
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
methyl 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3-benzoxazole-5-carboxylate
CID 129309307
5-hydroxy-1,3-benzoxazole-2-carbonyl chloride
CID 131010337
2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3-benzoxazol-6-ol
CID 25211972
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
CID 156778570

Frequently Asked Questions

What is the IUPAC name of 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol?
The IUPAC name of 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol (CID 91417035) is 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol is CC=CC(=CC)c1nc2ccc(O)cc2o1.
What is the InChIKey of 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol?
The InChIKey is NAZHLMLIAKVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-5-9(4-2)13-14-11-7-6-10(15)8-12(11)16-13/h3-8,15H,1-2H3.
What are the key properties of 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol?
2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol has a molecular weight of 215.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-2,4-dien-3-yl-1,3-benzoxazol-6-ol is sourced from PubChem (CID 91417035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).