2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol

C25H22O — CID 19013042

IUPAC2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol
SMILESCC(/C=C/c1ccccc1)=C(/C=C/c1ccccc1)c1ccccc1O
InChIInChI=1S/C25H22O/c1-20(16-17-21-10-4-2-5-11-21)23(24-14-8-9-15-25(24)26)19-18-22-12-6-3-7-13-22/h2-19,26H,1H3/b17-16+,19-18+,23-20+
InChIKeyXZWKSOUISXIOSX-XCLQMNBZSA-N
MW338.45 g/mol
LogP6.59
Rot. Bonds5

About 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol

2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol (PubChem CID 19013042) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol.

Molecular Properties

Compound Name2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol
PubChem CID19013042
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol
SMILESCC(/C=C/c1ccccc1)=C(/C=C/c1ccccc1)c1ccccc1O
InChIInChI=1S/C25H22O/c1-20(16-17-21-10-4-2-5-11-21)23(24-14-8-9-15-25(24)26)19-18-22-12-6-3-7-13-22/h2-19,26H,1H3/b17-16+,19-18+,23-20+
InChIKeyXZWKSOUISXIOSX-XCLQMNBZSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
CID 102383415
2-(4-phenylbut-3-en-2-ylidene)propanedioic acid
CID 85132493
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 11680420
3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 11043762
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol?
The IUPAC name of 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol (CID 19013042) is 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol.
What is the SMILES notation for 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol?
The canonical SMILES for 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol is CC(/C=C/c1ccccc1)=C(/C=C/c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol?
The InChIKey is XZWKSOUISXIOSX-XCLQMNBZSA-N. The full InChI is InChI=1S/C25H22O/c1-20(16-17-21-10-4-2-5-11-21)23(24-14-8-9-15-25(24)26)19-18-22-12-6-3-7-13-22/h2-19,26H,1H3/b17-16+,19-18+,23-20+.
What are the key properties of 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol?
2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol has a molecular weight of 338.45 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E)-4-methyl-1,6-diphenylhexa-1,3,5-trien-3-yl]phenol is sourced from PubChem (CID 19013042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).