2-(1-hydroxybut-3-enyl)-6-methylphenol

C11H14O2 — CID 101451265

IUPAC2-(1-hydroxybut-3-enyl)-6-methylphenol
SMILESC=CCC(O)c1cccc(C)c1O
InChIInChI=1S/C11H14O2/c1-3-5-10(12)9-7-4-6-8(2)11(9)13/h3-4,6-7,10,12-13H,1,5H2,2H3
InChIKeyNHSBXJODLDFQAJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.31
Rot. Bonds3

About 2-(1-hydroxybut-3-enyl)-6-methylphenol

2-(1-hydroxybut-3-enyl)-6-methylphenol (PubChem CID 101451265) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(1-hydroxybut-3-enyl)-6-methylphenol.

Molecular Properties

Compound Name2-(1-hydroxybut-3-enyl)-6-methylphenol
PubChem CID101451265
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(1-hydroxybut-3-enyl)-6-methylphenol
SMILESC=CCC(O)c1cccc(C)c1O
InChIInChI=1S/C11H14O2/c1-3-5-10(12)9-7-4-6-8(2)11(9)13/h3-4,6-7,10,12-13H,1,5H2,2H3
InChIKeyNHSBXJODLDFQAJ-UHFFFAOYSA-N
XLogP2.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
3-chloro-1-(2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 171861661
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
(2R)-2-(2-methylphenyl)pent-4-enamide
CID 101197364

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybut-3-enyl)-6-methylphenol?
The IUPAC name of 2-(1-hydroxybut-3-enyl)-6-methylphenol (CID 101451265) is 2-(1-hydroxybut-3-enyl)-6-methylphenol.
What is the SMILES notation for 2-(1-hydroxybut-3-enyl)-6-methylphenol?
The canonical SMILES for 2-(1-hydroxybut-3-enyl)-6-methylphenol is C=CCC(O)c1cccc(C)c1O.
What is the InChIKey of 2-(1-hydroxybut-3-enyl)-6-methylphenol?
The InChIKey is NHSBXJODLDFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-10(12)9-7-4-6-8(2)11(9)13/h3-4,6-7,10,12-13H,1,5H2,2H3.
What are the key properties of 2-(1-hydroxybut-3-enyl)-6-methylphenol?
2-(1-hydroxybut-3-enyl)-6-methylphenol has a molecular weight of 178.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybut-3-enyl)-6-methylphenol is sourced from PubChem (CID 101451265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).