4-methyl-2-propa-1,2-dienylphenol

C10H10O — CID 45082800

IUPAC4-methyl-2-propa-1,2-dienylphenol
SMILESC=C=Cc1cc(C)ccc1O
InChIInChI=1S/C10H10O/c1-3-4-9-7-8(2)5-6-10(9)11/h4-7,11H,1H2,2H3
InChIKeyVHJWDJOLVYKIQO-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.50
Rot. Bonds1

About 4-methyl-2-propa-1,2-dienylphenol

4-methyl-2-propa-1,2-dienylphenol (PubChem CID 45082800) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-methyl-2-propa-1,2-dienylphenol.

Molecular Properties

Compound Name4-methyl-2-propa-1,2-dienylphenol
PubChem CID45082800
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name4-methyl-2-propa-1,2-dienylphenol
SMILESC=C=Cc1cc(C)ccc1O
InChIInChI=1S/C10H10O/c1-3-4-9-7-8(2)5-6-10(9)11/h4-7,11H,1H2,2H3
InChIKeyVHJWDJOLVYKIQO-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-hydroxy-5-methylbenzaldehyde;3-methylphenol
CID 87684857
bis(4-methylbenzene-1,2-diol);zirconium
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2,4-dimethylphenol
CID 67713801
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propa-1,2-dienylphenol?
The IUPAC name of 4-methyl-2-propa-1,2-dienylphenol (CID 45082800) is 4-methyl-2-propa-1,2-dienylphenol.
What is the SMILES notation for 4-methyl-2-propa-1,2-dienylphenol?
The canonical SMILES for 4-methyl-2-propa-1,2-dienylphenol is C=C=Cc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-propa-1,2-dienylphenol?
The InChIKey is VHJWDJOLVYKIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-4-9-7-8(2)5-6-10(9)11/h4-7,11H,1H2,2H3.
What are the key properties of 4-methyl-2-propa-1,2-dienylphenol?
4-methyl-2-propa-1,2-dienylphenol has a molecular weight of 146.19 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propa-1,2-dienylphenol is sourced from PubChem (CID 45082800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).