4-(1-hydroxyethenyl)benzene-1,3-diol

C8H8O3 — CID 89199480

IUPAC4-(1-hydroxyethenyl)benzene-1,3-diol
SMILESC=C(O)c1ccc(O)cc1O
InChIInChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,9-11H,1H2
InChIKeyLOJCOBLNZZEHPG-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.63
Rot. Bonds1

About 4-(1-hydroxyethenyl)benzene-1,3-diol

4-(1-hydroxyethenyl)benzene-1,3-diol (PubChem CID 89199480) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-(1-hydroxyethenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-hydroxyethenyl)benzene-1,3-diol
PubChem CID89199480
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-(1-hydroxyethenyl)benzene-1,3-diol
SMILESC=C(O)c1ccc(O)cc1O
InChIInChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,9-11H,1H2
InChIKeyLOJCOBLNZZEHPG-UHFFFAOYSA-N
XLogP1.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxybenzoic acid
CID 1491
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
CID 162619024
ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol
CID 143407127
N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide
CID 136620654
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
2,4-dihydroxybenzamide;pyridine
CID 70617308
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
3-cyano-3-(2,4-dihydroxyphenyl)prop-2-enethioamide
CID 173321767
1-(2,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)prop-2-en-1-one;methane
CID 162047317
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethenyl)benzene-1,3-diol?
The IUPAC name of 4-(1-hydroxyethenyl)benzene-1,3-diol (CID 89199480) is 4-(1-hydroxyethenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-hydroxyethenyl)benzene-1,3-diol?
The canonical SMILES for 4-(1-hydroxyethenyl)benzene-1,3-diol is C=C(O)c1ccc(O)cc1O.
What is the InChIKey of 4-(1-hydroxyethenyl)benzene-1,3-diol?
The InChIKey is LOJCOBLNZZEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,9-11H,1H2.
What are the key properties of 4-(1-hydroxyethenyl)benzene-1,3-diol?
4-(1-hydroxyethenyl)benzene-1,3-diol has a molecular weight of 152.15 g/mol, XLogP of 1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethenyl)benzene-1,3-diol is sourced from PubChem (CID 89199480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).