2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene

C14H20O — CID 142839370

IUPAC2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C6H10/c1-6-3-4-8(9)7(2)5-6;1-3-5-6-4-2/h3-5,9H,1-2H3;3-6H,1-2H3/b;5-3-,6-4-
InChIKeyMMUVWRHAGGVKRI-NFAXKJQBSA-N
MW204.31 g/mol
LogP4.15
Rot. Bonds1

About 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene

2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene (PubChem CID 142839370) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene.

Molecular Properties

Compound Name2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
PubChem CID142839370
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C6H10/c1-6-3-4-8(9)7(2)5-6;1-3-5-6-4-2/h3-5,9H,1-2H3;3-6H,1-2H3/b;5-3-,6-4-
InChIKeyMMUVWRHAGGVKRI-NFAXKJQBSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.15
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

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CID 67713801
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CID 172763014
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2,4-dimethylphenol;1-methylpyrrolidine
CID 171834752
chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
CID 87866037
butane;2,4-dimethylphenol;2-methylpentane
CID 143520980

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene?
The IUPAC name of 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene (CID 142839370) is 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene.
What is the SMILES notation for 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene?
The canonical SMILES for 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene is C/C=C\C=C/C.Cc1ccc(O)c(C)c1.
What is the InChIKey of 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene?
The InChIKey is MMUVWRHAGGVKRI-NFAXKJQBSA-N. The full InChI is InChI=1S/C8H10O.C6H10/c1-6-3-4-8(9)7(2)5-6;1-3-5-6-4-2/h3-5,9H,1-2H3;3-6H,1-2H3/b;5-3-,6-4-.
What are the key properties of 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene?
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene has a molecular weight of 204.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene is sourced from PubChem (CID 142839370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).