2-but-1-en-2-yl-4-methylphenol

C11H14O — CID 142975945

IUPAC2-but-1-en-2-yl-4-methylphenol
SMILESC=C(CC)c1cc(C)ccc1O
InChIInChI=1S/C11H14O/c1-4-9(3)10-7-8(2)5-6-11(10)12/h5-7,12H,3-4H2,1-2H3
InChIKeyMXKVVKQOYWWADN-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.12
Rot. Bonds2

About 2-but-1-en-2-yl-4-methylphenol

2-but-1-en-2-yl-4-methylphenol (PubChem CID 142975945) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-but-1-en-2-yl-4-methylphenol.

Molecular Properties

Compound Name2-but-1-en-2-yl-4-methylphenol
PubChem CID142975945
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-but-1-en-2-yl-4-methylphenol
SMILESC=C(CC)c1cc(C)ccc1O
InChIInChI=1S/C11H14O/c1-4-9(3)10-7-8(2)5-6-11(10)12/h5-7,12H,3-4H2,1-2H3
InChIKeyMXKVVKQOYWWADN-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-but-1-en-2-yl-5-methylbenzoic acid
CID 124704761
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
2-but-1-en-2-yl-1,4-dimethylbenzene;ethane;2-methylbut-1-ene;2-methylpropane;1,2,4-trimethylbenzene
CID 142019907
6-(2-but-1-en-2-yl-4-methylphenyl)hexan-1-amine
CID 166814378
1-but-1-en-2-yl-2-chloro-4-methylbenzene;ethane;pentane
CID 153404685
3-but-1-en-2-yl-6-methyl-1H-indole
CID 167211722
2-[(Z)-1-aminobut-1-enyl]-4-methylphenol
CID 142053598
2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
CID 138652655
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771227
N'-[3-(2-but-1-en-2-yl-4-methylphenyl)propyl]-N,N'-dimethylethane-1,2-diamine
CID 154970033
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-4-methylphenol?
The IUPAC name of 2-but-1-en-2-yl-4-methylphenol (CID 142975945) is 2-but-1-en-2-yl-4-methylphenol.
What is the SMILES notation for 2-but-1-en-2-yl-4-methylphenol?
The canonical SMILES for 2-but-1-en-2-yl-4-methylphenol is C=C(CC)c1cc(C)ccc1O.
What is the InChIKey of 2-but-1-en-2-yl-4-methylphenol?
The InChIKey is MXKVVKQOYWWADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-4-9(3)10-7-8(2)5-6-11(10)12/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 2-but-1-en-2-yl-4-methylphenol?
2-but-1-en-2-yl-4-methylphenol has a molecular weight of 162.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-4-methylphenol is sourced from PubChem (CID 142975945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).