formic acid;3-prop-2-enylnaphthalene-1,2-diol

C14H14O4 — CID 174619626

IUPACformic acid;3-prop-2-enylnaphthalene-1,2-diol
SMILESC=CCc1cc2ccccc2c(O)c1O.O=CO
InChIInChI=1S/C13H12O2.CH2O2/c1-2-5-10-8-9-6-3-4-7-11(9)13(15)12(10)14;2-1-3/h2-4,6-8,14-15H,1,5H2;1H,(H,2,3)
InChIKeyRIKXHVGINBTGKA-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.68
Rot. Bonds2

About formic acid;3-prop-2-enylnaphthalene-1,2-diol

formic acid;3-prop-2-enylnaphthalene-1,2-diol (PubChem CID 174619626) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is formic acid;3-prop-2-enylnaphthalene-1,2-diol.

Molecular Properties

Compound Nameformic acid;3-prop-2-enylnaphthalene-1,2-diol
PubChem CID174619626
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameformic acid;3-prop-2-enylnaphthalene-1,2-diol
SMILESC=CCc1cc2ccccc2c(O)c1O.O=CO
InChIInChI=1S/C13H12O2.CH2O2/c1-2-5-10-8-9-6-3-4-7-11(9)13(15)12(10)14;2-1-3/h2-4,6-8,14-15H,1,5H2;1H,(H,2,3)
InChIKeyRIKXHVGINBTGKA-UHFFFAOYSA-N
XLogP2.68
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroxynaphthalene
CID 7091
1,2-Dihydroxynaphthalene
CID 11318
Benzo[a]pyrene-7,8-diol
CID 42267
Anthrarobin
CID 11342
Benzo(a)pyrene-4,5-diol
CID 107727
3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
CID 642531
3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
CID 14396469
3,6-Bis(4-hydroxyphenyl)-4,5-dimethylbenzene-1,2-diol
CID 25191039
Benzo[a]pyrene-9,10-diol
CID 107679
3-Methyl-2-naphthol
CID 87050
Phenanthrene-3,4-diol
CID 439929
2,4,5,6-Phenanthrenetetrol
CID 129206075

Frequently Asked Questions

What is the IUPAC name of formic acid;3-prop-2-enylnaphthalene-1,2-diol?
The IUPAC name of formic acid;3-prop-2-enylnaphthalene-1,2-diol (CID 174619626) is formic acid;3-prop-2-enylnaphthalene-1,2-diol.
What is the SMILES notation for formic acid;3-prop-2-enylnaphthalene-1,2-diol?
The canonical SMILES for formic acid;3-prop-2-enylnaphthalene-1,2-diol is C=CCc1cc2ccccc2c(O)c1O.O=CO.
What is the InChIKey of formic acid;3-prop-2-enylnaphthalene-1,2-diol?
The InChIKey is RIKXHVGINBTGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.CH2O2/c1-2-5-10-8-9-6-3-4-7-11(9)13(15)12(10)14;2-1-3/h2-4,6-8,14-15H,1,5H2;1H,(H,2,3).
What are the key properties of formic acid;3-prop-2-enylnaphthalene-1,2-diol?
formic acid;3-prop-2-enylnaphthalene-1,2-diol has a molecular weight of 246.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-prop-2-enylnaphthalene-1,2-diol is sourced from PubChem (CID 174619626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).