(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid

C13H10O3 — CID 70525450

IUPAC(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/O)c1cccc2ccccc12
InChIInChI=1S/C13H10O3/c14-8-12(13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H,(H,15,16)/b12-8+
InChIKeyFQTZJBIMXFVHQF-XYOKQWHBSA-N
MW214.22 g/mol
LogP2.82
Rot. Bonds2

About (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid

(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid (PubChem CID 70525450) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid
PubChem CID70525450
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/O)c1cccc2ccccc12
InChIInChI=1S/C13H10O3/c14-8-12(13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H,(H,15,16)/b12-8+
InChIKeyFQTZJBIMXFVHQF-XYOKQWHBSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-4-oxobut-2-enoic acid
CID 173237233
ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid
CID 175176672
(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid
CID 6306228
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
(Z)-3-(4-ethylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83953224
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
(E)-1,1,1-trifluoro-4-hydroxy-4-naphthalen-1-ylbut-3-en-2-one
CID 67502188
(Z)-4-hydroxy-1-naphthalen-1-yl-3,4-dioxobut-1-en-1-olate
CID 54705150
naphthalene-1-carbonyl iodide
CID 87393513
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
(Z)-2-anthracen-1-ylbut-2-enedioic acid;ethane-1,2-diol
CID 174360999

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid?
The IUPAC name of (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid (CID 70525450) is (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid is O=C(O)/C(=C/O)c1cccc2ccccc12.
What is the InChIKey of (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid?
The InChIKey is FQTZJBIMXFVHQF-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H10O3/c14-8-12(13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H,(H,15,16)/b12-8+.
What are the key properties of (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid?
(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid has a molecular weight of 214.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid is sourced from PubChem (CID 70525450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).