4-(3-methylbut-1-enyl)phenol

C11H14O — CID 57250794

IUPAC4-(3-methylbut-1-enyl)phenol
SMILESCC(C)C=Cc1ccc(O)cc1
InChIInChI=1S/C11H14O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3-9,12H,1-2H3
InChIKeyGXYXTXDETQMQQZ-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-methylbut-1-enyl)phenol

4-(3-methylbut-1-enyl)phenol (PubChem CID 57250794) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 4-(3-methylbut-1-enyl)phenol.

Molecular Properties

Compound Name4-(3-methylbut-1-enyl)phenol
PubChem CID57250794
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name4-(3-methylbut-1-enyl)phenol
SMILESCC(C)C=Cc1ccc(O)cc1
InChIInChI=1S/C11H14O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3-9,12H,1-2H3
InChIKeyGXYXTXDETQMQQZ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(E)-3-(methylamino)but-1-enyl]phenol
CID 103092127
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
CID 145071373
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427
(2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 91558064
(E,2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 15558522
(2R,3R)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
CID 162929249
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
4-ethenylphenol;propan-2-ol
CID 159910746
4-(2-phenylethenyl)phenol
CID 157400568

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-enyl)phenol?
The IUPAC name of 4-(3-methylbut-1-enyl)phenol (CID 57250794) is 4-(3-methylbut-1-enyl)phenol.
What is the SMILES notation for 4-(3-methylbut-1-enyl)phenol?
The canonical SMILES for 4-(3-methylbut-1-enyl)phenol is CC(C)C=Cc1ccc(O)cc1.
What is the InChIKey of 4-(3-methylbut-1-enyl)phenol?
The InChIKey is GXYXTXDETQMQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3-9,12H,1-2H3.
What are the key properties of 4-(3-methylbut-1-enyl)phenol?
4-(3-methylbut-1-enyl)phenol has a molecular weight of 162.23 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-enyl)phenol is sourced from PubChem (CID 57250794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).