2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol

C17H13NO — CID 175848025

IUPAC2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol
SMILES[C-]#[N+]/C=C/c1c(O)cccc1/C=C/c1ccccc1
InChIInChI=1S/C17H13NO/c1-18-13-12-16-15(8-5-9-17(16)19)11-10-14-6-3-2-4-7-14/h2-13,19H/b11-10+,13-12+
InChIKeyAEOSMRKRFDPPJO-AQASXUMVSA-N
MW247.30 g/mol
LogP4.45
Rot. Bonds3

About 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol

2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol (PubChem CID 175848025) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol
PubChem CID175848025
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol
SMILES[C-]#[N+]/C=C/c1c(O)cccc1/C=C/c1ccccc1
InChIInChI=1S/C17H13NO/c1-18-13-12-16-15(8-5-9-17(16)19)11-10-14-6-3-2-4-7-14/h2-13,19H/b11-10+,13-12+
InChIKeyAEOSMRKRFDPPJO-AQASXUMVSA-N
XLogP4.45
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 172791684
CID 172791684
3-(2-isocyanoethenyl)benzene-1,2-diol
CID 54528466
2-chloro-3-(2-phenylethenyl)phenol
CID 70555314
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999
but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
2-methyl-6-[(E)-2-phenylethenyl]phenol
CID 22713146
2-(dimethylamino)-6-[(E)-2-phenylethenyl]phenol
CID 174746341
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol
CID 54155486

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol?
The IUPAC name of 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol (CID 175848025) is 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol?
The canonical SMILES for 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol is [C-]#[N+]/C=C/c1c(O)cccc1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol?
The InChIKey is AEOSMRKRFDPPJO-AQASXUMVSA-N. The full InChI is InChI=1S/C17H13NO/c1-18-13-12-16-15(8-5-9-17(16)19)11-10-14-6-3-2-4-7-14/h2-13,19H/b11-10+,13-12+.
What are the key properties of 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol?
2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol has a molecular weight of 247.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol is sourced from PubChem (CID 175848025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).