benzene-1,2,3,4,5-pentol;ethene

C8H10O5 — CID 174601355

IUPACbenzene-1,2,3,4,5-pentol;ethene
SMILESC=C.Oc1cc(O)c(O)c(O)c1O
InChIInChI=1S/C6H6O5.C2H4/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1,7-11H;1-2H2
InChIKeySJWLNLBHDIKNAQ-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.02
Rot. Bonds

About benzene-1,2,3,4,5-pentol;ethene

benzene-1,2,3,4,5-pentol;ethene (PubChem CID 174601355) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is benzene-1,2,3,4,5-pentol;ethene.

Molecular Properties

Compound Namebenzene-1,2,3,4,5-pentol;ethene
PubChem CID174601355
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namebenzene-1,2,3,4,5-pentol;ethene
SMILESC=C.Oc1cc(O)c(O)c(O)c1O
InChIInChI=1S/C6H6O5.C2H4/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1,7-11H;1-2H2
InChIKeySJWLNLBHDIKNAQ-UHFFFAOYSA-N
XLogP1.02
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
5-(dihydroxymethyl)benzene-1,2,3,4-tetrol
CID 173391371
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
5-[(2,4,5-trihydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139941734
benzene-1,2,3,4-tetrol;benzene-1,3,5-triol
CID 174397816
3-phosphanyl-6-(2,3,4,5-tetrahydroxyphenyl)benzene-1,2,4,5-tetrol
CID 170224587
(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
CID 146550128
4-(2-amino-2,2-dihydroxyethyl)benzene-1,2,3,5-tetrol
CID 90767962
9H-carbazole-1,2,3,5,6,8-hexol
CID 171715050
4,6-bis(hydroxymethyl)benzene-1,3-diol
CID 66920860
(3,5-dihydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone
CID 19910358
2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide
CID 18955472

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4,5-pentol;ethene?
The IUPAC name of benzene-1,2,3,4,5-pentol;ethene (CID 174601355) is benzene-1,2,3,4,5-pentol;ethene.
What is the SMILES notation for benzene-1,2,3,4,5-pentol;ethene?
The canonical SMILES for benzene-1,2,3,4,5-pentol;ethene is C=C.Oc1cc(O)c(O)c(O)c1O.
What is the InChIKey of benzene-1,2,3,4,5-pentol;ethene?
The InChIKey is SJWLNLBHDIKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5.C2H4/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1,7-11H;1-2H2.
What are the key properties of benzene-1,2,3,4,5-pentol;ethene?
benzene-1,2,3,4,5-pentol;ethene has a molecular weight of 186.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4,5-pentol;ethene is sourced from PubChem (CID 174601355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).