3-(4-hydroxybut-1-enyl)-4-methylphenol

C11H14O2 — CID 170476164

IUPAC3-(4-hydroxybut-1-enyl)-4-methylphenol
SMILESCc1ccc(O)cc1C=CCCO
InChIInChI=1S/C11H14O2/c1-9-5-6-11(13)8-10(9)4-2-3-7-12/h2,4-6,8,12-13H,3,7H2,1H3
InChIKeyJALLRHZQDOHPJX-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.10
Rot. Bonds3

About 3-(4-hydroxybut-1-enyl)-4-methylphenol

3-(4-hydroxybut-1-enyl)-4-methylphenol (PubChem CID 170476164) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-enyl)-4-methylphenol.

Molecular Properties

Compound Name3-(4-hydroxybut-1-enyl)-4-methylphenol
PubChem CID170476164
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-(4-hydroxybut-1-enyl)-4-methylphenol
SMILESCc1ccc(O)cc1C=CCCO
InChIInChI=1S/C11H14O2/c1-9-5-6-11(13)8-10(9)4-2-3-7-12/h2,4-6,8,12-13H,3,7H2,1H3
InChIKeyJALLRHZQDOHPJX-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminobut-1-enyl)-4-methylphenol
CID 170486573
4-methyl-3-prop-1-enylphenol
CID 59722537
4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 170476550
4-chloro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495346
4-(2-amino-3-methylphenyl)but-3-en-1-ol
CID 170476272
4-(2-bromo-4-methylphenyl)but-3-en-1-ol
CID 170477579
4-(2-chloro-4-methylphenyl)but-3-en-1-ol
CID 170476087
(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol
CID 130384446
4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
CID 170477115
4-(3-bromoprop-1-enyl)-3-methylphenol
CID 169475109
3-methyl-4-(3-sulfanylprop-1-enyl)phenol
CID 169454754
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-enyl)-4-methylphenol?
The IUPAC name of 3-(4-hydroxybut-1-enyl)-4-methylphenol (CID 170476164) is 3-(4-hydroxybut-1-enyl)-4-methylphenol.
What is the SMILES notation for 3-(4-hydroxybut-1-enyl)-4-methylphenol?
The canonical SMILES for 3-(4-hydroxybut-1-enyl)-4-methylphenol is Cc1ccc(O)cc1C=CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-enyl)-4-methylphenol?
The InChIKey is JALLRHZQDOHPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-5-6-11(13)8-10(9)4-2-3-7-12/h2,4-6,8,12-13H,3,7H2,1H3.
What are the key properties of 3-(4-hydroxybut-1-enyl)-4-methylphenol?
3-(4-hydroxybut-1-enyl)-4-methylphenol has a molecular weight of 178.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-enyl)-4-methylphenol is sourced from PubChem (CID 170476164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).