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

C11H14O2 — CID 145071373

IUPAC2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
SMILESCC(C)/C=C\c1cc(O)ccc1O
InChIInChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3-8,12-13H,1-2H3/b4-3-
InChIKeyMDFSLWOKDIYSJI-ARJAWSKDSA-N
MW178.23 g/mol
LogP2.77
Rot. Bonds2

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

2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol (PubChem CID 145071373) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
PubChem CID145071373
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
SMILESCC(C)/C=C\c1cc(O)ccc1O
InChIInChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3-8,12-13H,1-2H3/b4-3-
InChIKeyMDFSLWOKDIYSJI-ARJAWSKDSA-N
XLogP2.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-1-enyl]benzene-1,4-diol
CID 19910488
4-(3-methylbut-1-enyl)phenol
CID 57250794
2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
2-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,4-diol
CID 135532292
methyl 4-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]benzoate
CID 5468975
(E)-3-(2,5-dihydroxyphenyl)-1-(5-methoxythiophen-2-yl)prop-2-en-1-one
CID 176768110
1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 143887772
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
(Z)-3-(2,5-dihydroxyphenyl)-1-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 102469351

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol?
The IUPAC name of 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol (CID 145071373) is 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol?
The canonical SMILES for 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol is CC(C)/C=C\c1cc(O)ccc1O.
What is the InChIKey of 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol?
The InChIKey is MDFSLWOKDIYSJI-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3-8,12-13H,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol?
2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol has a molecular weight of 178.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol is sourced from PubChem (CID 145071373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).