4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol

C13H16O — CID 142835600

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol
SMILESC/C=C\C(=C/C)c1ccc(O)c(C)c1
InChIInChI=1S/C13H16O/c1-4-6-11(5-2)12-7-8-13(14)10(3)9-12/h4-9,14H,1-3H3/b6-4-,11-5+
InChIKeyFIWNMPOHIAKHLX-NQTKGXIKSA-N
MW188.27 g/mol
LogP3.68
Rot. Bonds2

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol

4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol (PubChem CID 142835600) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol
PubChem CID142835600
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol
SMILESC/C=C\C(=C/C)c1ccc(O)c(C)c1
InChIInChI=1S/C13H16O/c1-4-6-11(5-2)12-7-8-13(14)10(3)9-12/h4-9,14H,1-3H3/b6-4-,11-5+
InChIKeyFIWNMPOHIAKHLX-NQTKGXIKSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol (CID 142835600) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol is C/C=C\C(=C/C)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol?
The InChIKey is FIWNMPOHIAKHLX-NQTKGXIKSA-N. The full InChI is InChI=1S/C13H16O/c1-4-6-11(5-2)12-7-8-13(14)10(3)9-12/h4-9,14H,1-3H3/b6-4-,11-5+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol has a molecular weight of 188.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylphenol is sourced from PubChem (CID 142835600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).