4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol

C17H16O — CID 87425519

IUPAC4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
SMILESCc1ccc(C=CC=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O/c1-14-6-8-15(9-7-14)4-2-3-5-16-10-12-17(18)13-11-16/h2-13,18H,1H3
InChIKeyOZNZBYRHNINOQU-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.43
Rot. Bonds3

About 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol

4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol (PubChem CID 87425519) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
PubChem CID87425519
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
SMILESCc1ccc(C=CC=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O/c1-14-6-8-15(9-7-14)4-2-3-5-16-10-12-17(18)13-11-16/h2-13,18H,1H3
InChIKeyOZNZBYRHNINOQU-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.43
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

4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
4-methylphenol
CID 70549076
(2E,4E)-5-(4-hydroxyphenyl)-N-(4-methylphenyl)penta-2,4-dienamide
CID 10492944
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
4-methylphenol;hydrate
CID 71777661
bis(4-methylphenol);tetrahydrochloride
CID 175346853
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
chromium;bis(4-methylphenol);chloride
CID 172752271
4-[(1Z)-buta-1,3-dienyl]phenol
CID 45082834
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
5-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488584

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol?
The IUPAC name of 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol (CID 87425519) is 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol.
What is the SMILES notation for 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol?
The canonical SMILES for 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol is Cc1ccc(C=CC=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol?
The InChIKey is OZNZBYRHNINOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-14-6-8-15(9-7-14)4-2-3-5-16-10-12-17(18)13-11-16/h2-13,18H,1H3.
What are the key properties of 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol?
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol is sourced from PubChem (CID 87425519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).