2-[(E)-but-1-enyl]benzene-1,4-diol

C10H12O2 — CID 19910488

IUPAC2-[(E)-but-1-enyl]benzene-1,4-diol
SMILESCC/C=C/c1cc(O)ccc1O
InChIInChI=1S/C10H12O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h3-7,11-12H,2H2,1H3/b4-3+
InChIKeyZPBHTSKOOOJIIT-ONEGZZNKSA-N
MW164.20 g/mol
LogP2.52
Rot. Bonds2

About 2-[(E)-but-1-enyl]benzene-1,4-diol

2-[(E)-but-1-enyl]benzene-1,4-diol (PubChem CID 19910488) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]benzene-1,4-diol
PubChem CID19910488
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-[(E)-but-1-enyl]benzene-1,4-diol
SMILESCC/C=C/c1cc(O)ccc1O
InChIInChI=1S/C10H12O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h3-7,11-12H,2H2,1H3/b4-3+
InChIKeyZPBHTSKOOOJIIT-ONEGZZNKSA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.52
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-[(Z)-3-methylbut-1-enyl]benzene-1,4-diol
CID 145071373
[(E)-3-(2,5-dihydroxyphenyl)prop-2-enyl] hydrogen sulfate
CID 131837833
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
(4-methoxyphenyl) 3-[(E)-but-1-enyl]-4-hydroxybenzoate
CID 71774251
4-(1-hydroxyhex-3-enyl)phenol
CID 175548143
O-[[4-[2-(2,5-dihydroxyphenyl)ethenyl]phenyl]methyl] ethanethioate
CID 91216363
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
CID 18539716
4-dec-1-enylbenzene-1,3-diol
CID 140936059
3-(4-hydroxybut-1-enyl)-4-methylphenol
CID 170476164

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-but-1-enyl]benzene-1,4-diol (CID 19910488) is 2-[(E)-but-1-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-but-1-enyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-but-1-enyl]benzene-1,4-diol is CC/C=C/c1cc(O)ccc1O.
What is the InChIKey of 2-[(E)-but-1-enyl]benzene-1,4-diol?
The InChIKey is ZPBHTSKOOOJIIT-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h3-7,11-12H,2H2,1H3/b4-3+.
What are the key properties of 2-[(E)-but-1-enyl]benzene-1,4-diol?
2-[(E)-but-1-enyl]benzene-1,4-diol has a molecular weight of 164.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]benzene-1,4-diol is sourced from PubChem (CID 19910488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).