2-(3-methylbut-3-enyl)benzene-1,4-diol

C11H14O2 — CID 23318481

IUPAC2-(3-methylbut-3-enyl)benzene-1,4-diol
SMILESC=C(C)CCc1cc(O)ccc1O
InChIInChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h5-7,12-13H,1,3-4H2,2H3
InChIKeyYYLQFDPVCCYIFC-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-methylbut-3-enyl)benzene-1,4-diol

2-(3-methylbut-3-enyl)benzene-1,4-diol (PubChem CID 23318481) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-methylbut-3-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-methylbut-3-enyl)benzene-1,4-diol
PubChem CID23318481
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(3-methylbut-3-enyl)benzene-1,4-diol
SMILESC=C(C)CCc1cc(O)ccc1O
InChIInChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h5-7,12-13H,1,3-4H2,2H3
InChIKeyYYLQFDPVCCYIFC-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enyl)benzene-1,4-diol
CID 19744956
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]prop-2-enoic acid
CID 141464813
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
2-tridecylbenzene-1,4-diol
CID 19033717
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
4-hydroxy-2-(3-methylbut-3-enyl)benzoic acid;3-methylbut-3-enyl 4-hydroxybenzoate
CID 161024842
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
2-(3-methylbut-2-enyl)phenol;2-(3-methylbut-3-enyl)phenol;4-(3-methylbut-2-enyl)phenol;4-(3-methylbut-3-enyl)phenol
CID 157432582

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enyl)benzene-1,4-diol?
The IUPAC name of 2-(3-methylbut-3-enyl)benzene-1,4-diol (CID 23318481) is 2-(3-methylbut-3-enyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-methylbut-3-enyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-methylbut-3-enyl)benzene-1,4-diol is C=C(C)CCc1cc(O)ccc1O.
What is the InChIKey of 2-(3-methylbut-3-enyl)benzene-1,4-diol?
The InChIKey is YYLQFDPVCCYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h5-7,12-13H,1,3-4H2,2H3.
What are the key properties of 2-(3-methylbut-3-enyl)benzene-1,4-diol?
2-(3-methylbut-3-enyl)benzene-1,4-diol has a molecular weight of 178.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enyl)benzene-1,4-diol is sourced from PubChem (CID 23318481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).