2-[(Z)-but-2-en-2-yl]-5-methylphenol

C11H14O — CID 22825363

IUPAC2-[(Z)-but-2-en-2-yl]-5-methylphenol
SMILESC/C=C(/C)c1ccc(C)cc1O
InChIInChI=1S/C11H14O/c1-4-9(3)10-6-5-8(2)7-11(10)12/h4-7,12H,1-3H3/b9-4-
InChIKeyHQNHWISPBIVYCO-WTKPLQERSA-N
MW162.23 g/mol
LogP3.12
Rot. Bonds1

About 2-[(Z)-but-2-en-2-yl]-5-methylphenol

2-[(Z)-but-2-en-2-yl]-5-methylphenol (PubChem CID 22825363) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-5-methylphenol
PubChem CID22825363
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-[(Z)-but-2-en-2-yl]-5-methylphenol
SMILESC/C=C(/C)c1ccc(C)cc1O
InChIInChI=1S/C11H14O/c1-4-9(3)10-6-5-8(2)7-11(10)12/h4-7,12H,1-3H3/b9-4-
InChIKeyHQNHWISPBIVYCO-WTKPLQERSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

Analyze 2-[(Z)-but-2-en-2-yl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxy-4-methylphenyl)but-2-enoic acid
CID 130606734
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol
CID 130240719
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
4-but-2-en-2-yl-5-methylbenzene-1,2-diol
CID 123309072
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
CID 177145999
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
amino 2-hydroxy-4-methylbenzoate
CID 174368722
butane;ethane;(Z,2E)-2-ethylidene-1-(2-hydroxy-4-methylphenyl)-3-prop-1-en-2-ylpent-3-en-1-one
CID 170636062

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-5-methylphenol?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-5-methylphenol (CID 22825363) is 2-[(Z)-but-2-en-2-yl]-5-methylphenol.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-5-methylphenol?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-5-methylphenol is C/C=C(/C)c1ccc(C)cc1O.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-5-methylphenol?
The InChIKey is HQNHWISPBIVYCO-WTKPLQERSA-N. The full InChI is InChI=1S/C11H14O/c1-4-9(3)10-6-5-8(2)7-11(10)12/h4-7,12H,1-3H3/b9-4-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-5-methylphenol?
2-[(Z)-but-2-en-2-yl]-5-methylphenol has a molecular weight of 162.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-5-methylphenol is sourced from PubChem (CID 22825363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).