benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)

C26H32O6 — CID 67862171

IUPACbenzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)c1ccc(C(=C)C)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C12H14.C6H6O2.2C4H6O2/c1-9(2)11-5-7-12(8-6-11)10(3)4;7-5-1-2-6(8)4-3-5;2*1-3(2)4(5)6/h5-8H,1,3H2,2,4H3;1-4,7-8H;2*1H2,2H3,(H,5,6)
InChIKeyWOFDGYGQIAJRLD-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.14
Rot. Bonds4

About benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)

benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid) (PubChem CID 67862171) has the molecular formula C26H32O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namebenzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
PubChem CID67862171
Molecular FormulaC26H32O6
Molecular Weight440.54 g/mol
Exact Mass440.22
IUPAC Namebenzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)c1ccc(C(=C)C)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C12H14.C6H6O2.2C4H6O2/c1-9(2)11-5-7-12(8-6-11)10(3)4;7-5-1-2-6(8)4-3-5;2*1-3(2)4(5)6/h5-8H,1,3H2,2,4H3;1-4,7-8H;2*1H2,2H3,(H,5,6)
InChIKeyWOFDGYGQIAJRLD-UHFFFAOYSA-N
XLogP6.14
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid) with MolForge

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Related Compounds

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CID 174940878
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CID 67645342
boric acid;2-methylprop-2-enoic acid;phenol
CID 175548516
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CID 177408736
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CID 68624082
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1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
acetamide;4-hydroxybenzoic acid
CID 67150268
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
4-hydroxy(11C)benzoic acid
CID 11275035
biphenylene;2-methylprop-2-enoic acid
CID 174864090
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)?
The IUPAC name of benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid) (CID 67862171) is benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)c1ccc(C(=C)C)cc1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)?
The InChIKey is WOFDGYGQIAJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C6H6O2.2C4H6O2/c1-9(2)11-5-7-12(8-6-11)10(3)4;7-5-1-2-6(8)4-3-5;2*1-3(2)4(5)6/h5-8H,1,3H2,2,4H3;1-4,7-8H;2*1H2,2H3,(H,5,6).
What are the key properties of benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)?
benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid) has a molecular weight of 440.54 g/mol, XLogP of 6.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67862171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).